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[ CAS No. 870-72-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 870-72-4
Chemical Structure| 870-72-4
Structure of 870-72-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 870-72-4 ]

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Product Details of [ 870-72-4 ]

CAS No. :870-72-4 MDL No. :MFCD00044664
Formula : CH3NaO4S Boiling Point : -
Linear Structure Formula :- InChI Key :UOULCEYHQNCFFH-UHFFFAOYSA-M
M.W : 134.09 Pubchem ID :2723822
Synonyms :

Calculated chemistry of [ 870-72-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 16.77
TPSA : 85.81 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : -6.92
Log Po/w (XLOGP3) : -1.48
Log Po/w (WLOGP) : -0.44
Log Po/w (MLOGP) : -2.15
Log Po/w (SILICOS-IT) : -0.04
Consensus Log Po/w : -2.21

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.33
Solubility : 285.0 mg/ml ; 2.12 mol/l
Class : Highly soluble
Log S (Ali) : 0.18
Solubility : 204.0 mg/ml ; 1.52 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.0
Solubility : 1340.0 mg/ml ; 10.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.58

Safety of [ 870-72-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 870-72-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 870-72-4 ]

[ 870-72-4 ] Synthesis Path-Downstream   1~94

  • 1
  • [ 1824-81-3 ]
  • [ 870-72-4 ]
  • [ 52946-83-5 ]
  • 2
  • [ 695-34-1 ]
  • [ 870-72-4 ]
  • [ 117890-30-9 ]
  • 3
  • [ 870-72-4 ]
  • [ 73844-23-2 ]
  • (2-butylsulfanyl-benzothiazol-6-ylamino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 4
  • [ 870-72-4 ]
  • [ 1120-16-7 ]
  • [ 40817-24-1 ]
  • 5
  • [ 870-72-4 ]
  • [ 301-02-0 ]
  • [ 17736-09-3 ]
  • 6
  • [ 870-72-4 ]
  • [ 4013-95-0 ]
  • (<i>N</i>,<i>N</i>'-dibutyl-ethanediyldiamino)-bis-methanesulfonic acid ; disodium-salt [ No CAS ]
  • 7
  • [ 870-72-4 ]
  • [ 6346-09-4 ]
  • [ 151-50-8 ]
  • [ 1006878-78-9 ]
  • 8
  • [ 870-72-4 ]
  • [ 3144-09-0 ]
  • methanesulfonylamino-methanesulfonic acid [ No CAS ]
  • 9
  • [ 870-72-4 ]
  • [ 6304-39-8 ]
  • (<i>N'</i>-octanoyl-hydrazino)-methanesulfonic acid [ No CAS ]
  • 10
  • [ 870-72-4 ]
  • [ 3338-51-0 ]
  • (<i>N'</i>-nonanoyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 11
  • [ 870-72-4 ]
  • [ 20478-70-0 ]
  • (<i>N'</i>-decanyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 12
  • [ 870-72-4 ]
  • [ 45135-30-6 ]
  • (<i>N'</i>-undecanoyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 13
  • [ 870-72-4 ]
  • [ 5399-22-4 ]
  • (<i>N'</i>-lauroyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 14
  • [ 870-72-4 ]
  • [ 20478-71-1 ]
  • (<i>N'</i>-myristoyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 15
  • [ 870-72-4 ]
  • [ 2619-88-7 ]
  • (<i>N'</i>-palmitoyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 16
  • [ 870-72-4 ]
  • [ 5407-87-4 ]
  • [ 143-33-9 ]
  • [ 63764-02-3 ]
  • 17
  • [ 870-72-4 ]
  • [ 78160-13-1 ]
  • 2-chloro-7-(sulfomethyl-amino)-thioxanthen-9-one; sodium-salt [ No CAS ]
  • 18
  • [ 870-72-4 ]
  • [ 104634-77-7 ]
  • 2,7-bis-(sulfomethyl-amino)-thioxanthen-9-one; disodium-salt [ No CAS ]
  • 19
  • [ 870-72-4 ]
  • [ 101590-03-8 ]
  • (3-cyclohexyl-1,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-methanesulfonic acid [ No CAS ]
  • 20
  • [ 870-72-4 ]
  • [ 144-83-2 ]
  • (4-[2]pyridylsulfamoyl-anilino)-methanesulfonic acid [ No CAS ]
  • 21
  • [ 870-72-4 ]
  • [ 72802-87-0 ]
  • (<i>N'</i>-tridecanyl-hydrazino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 22
  • [ 870-72-4 ]
  • [ 24216-15-7 ]
  • 10,10-dioxo-2,7-bis-(sulfomethyl-amino)-10λ6-thioxanthen-9-one; disodium-salt [ No CAS ]
  • 23
  • [ 870-72-4 ]
  • [ 121579-26-8 ]
  • 2-chloro-10,10-dioxo-7-(sulfomethyl-amino)-10λ6-thioxanthen-9-one; sodium-salt [ No CAS ]
  • 24
  • [ 870-72-4 ]
  • [ 40750-59-2 ]
  • <i>N</i>-(3,4-dichloro-phenyl)-<i>N</i>-methyl-glycine amide [ No CAS ]
  • 25
  • [ 870-72-4 ]
  • [ 2391-56-2 ]
  • 1,5-bis-[4-(sulfomethyl-amino)-phenoxy]-pentane [ No CAS ]
  • 26
  • [ 870-72-4 ]
  • [ 151648-52-1 ]
  • 6,7-bis-[4-(sulfinomethyl-amino)-phenyl]-pteridine-2,4-diyldiamine; disodium-salt [ No CAS ]
  • 27
  • [ 870-72-4 ]
  • [ 141-97-9 ]
  • 2-ethoxycarbonyl-3-oxo-butane-1-sulfonic acid [ No CAS ]
  • 28
  • [ 870-72-4 ]
  • [ 554-00-7 ]
  • [ 75241-35-9 ]
  • 29
  • [ 870-72-4 ]
  • [ 554-00-7 ]
  • bis-[(2,4-dichloro-anilino)-methyl]-sulfide [ No CAS ]
  • 30
  • [ 870-72-4 ]
  • [ 554-00-7 ]
  • [ 116568-41-3 ]
  • 31
  • [ 870-72-4 ]
  • [ 6954-41-2 ]
  • bis-{2-[4-(sulfomethyl-amino)-phenoxy]-ethyl}-ether [ No CAS ]
  • 32
  • [ 870-72-4 ]
  • [ 106-49-0 ]
  • [ 16728-84-0 ]
  • 33
  • [ 870-72-4 ]
  • [ 104-94-9 ]
  • bis-<i>p</i>-anisidinomethyl sulfide [ No CAS ]
  • 34
  • [ 870-72-4 ]
  • [ 141-43-5 ]
  • [ 25254-37-9 ]
  • 35
  • [ 870-72-4 ]
  • [ 63-74-1 ]
  • [ 122-89-4 ]
  • 36
  • [ 870-72-4 ]
  • [ 151-50-8 ]
  • [ 124-40-3 ]
  • [ 926-64-7 ]
  • 37
  • [ 870-72-4 ]
  • [ 124-40-3 ]
  • dimethylamino-methanesulfonic acid ; sodium salt [ No CAS ]
  • 38
  • [ 870-72-4 ]
  • [ 107-15-3 ]
  • [ 13046-10-1 ]
  • 39
  • [ 870-72-4 ]
  • [ 109-89-7 ]
  • sulfurous acid mono-diethylaminomethyl ester [ No CAS ]
  • 40
  • [ 870-72-4 ]
  • [ 127099-85-8 ]
  • <i>N</i>-cyano-<i>N</i>'-sulfomethyl-guanidine; sodium-salt [ No CAS ]
  • 41
  • [ 870-72-4 ]
  • [ 95-76-1 ]
  • [ 64204-50-8 ]
  • 42
  • [ 870-72-4 ]
  • [ 143-33-9 ]
  • [ 95-53-4 ]
  • [ 21702-27-2 ]
  • 43
  • [ 870-72-4 ]
  • [ 99-57-0 ]
  • (2-hydroxy-5-nitro-anilino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 44
  • [ 870-72-4 ]
  • [ 80-08-0 ]
  • [ 5533-30-2 ]
  • 45
  • [ 870-72-4 ]
  • [ 121579-24-6 ]
  • 10,10-dioxo-2-(sulfomethyl-amino)-10λ6-thioxanthen-9-one; sodium-salt [ No CAS ]
  • 46
  • [ 870-72-4 ]
  • [ 143-33-9 ]
  • [ 2878-14-0 ]
  • [ 63315-30-0 ]
  • 47
  • [ 870-72-4 ]
  • [ 121-88-0 ]
  • (2-hydroxy-4-nitro-anilino)-methanesulfonic acid ; sodium-salt [ No CAS ]
  • 48
  • [ 1072-52-2 ]
  • [ 870-72-4 ]
  • [ 98896-97-0 ]
  • 49
  • [ 793605-21-7 ]
  • [ 870-72-4 ]
  • [ 35853-29-3 ]
  • 50
  • [ 870-72-4 ]
  • [ 31190-87-1 ]
  • 3-thiazolidin-3-yl-propan-1-ol [ No CAS ]
  • 51
  • [ 870-72-4 ]
  • [ 73290-18-3 ]
  • 4-thiazolidin-3-yl-butan-1-ol [ No CAS ]
  • 52
  • [ 870-72-4 ]
  • [ 40771-35-5 ]
  • 5-thiazolidin-3-yl-pentan-1-ol [ No CAS ]
  • 53
  • [ 870-72-4 ]
  • [ 73290-19-4 ]
  • 6-thiazolidin-3-yl-hexan-1-ol [ No CAS ]
  • 54
  • [ 870-72-4 ]
  • [ 73290-20-7 ]
  • 7-thiazolidin-3-yl-heptan-1-ol [ No CAS ]
  • 55
  • [ 870-72-4 ]
  • [ 73290-21-8 ]
  • 8-thiazolidin-3-yl-octan-1-ol [ No CAS ]
  • 56
  • [ 870-72-4 ]
  • 10-aziridin-1-yl-decan-1-ol [ No CAS ]
  • 10-thiazolidin-3-yl-decan-1-ol [ No CAS ]
  • 57
  • [ 870-72-4 ]
  • [ 20240-70-4 ]
  • [ 151-50-8 ]
  • [ 16142-44-2 ]
  • 58
  • [ 870-72-4 ]
  • [ 22498-18-6 ]
  • 3-(5-cyclooctyloxy-pentyl)-thiazolidine [ No CAS ]
  • 59
  • [ 870-72-4 ]
  • [ 1562-33-0 ]
  • [ 1928-05-8 ]
  • 65
  • [ 870-72-4 ]
  • [ 109087-14-1 ]
  • [((1R,2S)-2-Hydroxy-cyclohexylmethyl)-amino]-methanesulfonic acid [ No CAS ]
  • 67
  • [ 870-72-4 ]
  • [ 151-50-8 ]
  • [ 56677-61-3 ]
  • [ 16142-26-0 ]
  • 68
  • [ 870-72-4 ]
  • [ 38914-51-1 ]
  • 3-(2-cyclohexyl-butyl)-thiazolidine [ No CAS ]
  • 69
  • [ 870-72-4 ]
  • [ 38914-50-0 ]
  • 3-(4-cyclohexyl-butyl)-thiazolidine [ No CAS ]
  • 70
  • [ 870-72-4 ]
  • [ 38914-52-2 ]
  • [ 60343-45-5 ]
  • 71
  • [ 870-72-4 ]
  • [ 38914-53-3 ]
  • 3-(4-cyclohexyl-pentyl)-thiazolidine [ No CAS ]
  • 72
  • [ 870-72-4 ]
  • [ 38914-57-7 ]
  • [ 60343-47-7 ]
  • 73
  • [ 870-72-4 ]
  • [ 38914-59-9 ]
  • [ 38920-89-7 ]
  • 74
  • [ 870-72-4 ]
  • [ 38914-64-6 ]
  • 3-(4-<i>p</i>-tolyloxy-butyl)-thiazolidine [ No CAS ]
  • 75
  • [ 870-72-4 ]
  • [ 23464-55-3 ]
  • 3-[4-(4-methoxy-phenyl)-butyl]-thiazolidine [ No CAS ]
  • 76
  • [ 870-72-4 ]
  • [ 38914-78-2 ]
  • 3-[1-(4-methoxy-benzyl)-propyl]-thiazolidine [ No CAS ]
  • 77
  • [ 870-72-4 ]
  • [ 38914-61-3 ]
  • [ 60343-48-8 ]
  • 78
  • [ 870-72-4 ]
  • [ 23468-22-6 ]
  • [ 98896-99-2 ]
  • 79
  • [ 870-72-4 ]
  • [ 23468-18-0 ]
  • 3-[4-(2-isopropyl-phenoxy)-butyl]-thiazolidine [ No CAS ]
  • 80
  • [ 870-72-4 ]
  • [ 38914-70-4 ]
  • 3-[4-(2,3,6-trimethyl-phenoxy)-butyl]-thiazolidine [ No CAS ]
  • 81
  • [ 870-72-4 ]
  • [ 23468-19-1 ]
  • 3-[4-(4-ethyl-2-methoxy-phenoxy)-butyl]-thiazolidine [ No CAS ]
  • 82
  • [ 870-72-4 ]
  • [ 38944-43-3 ]
  • 3-[4-(3,5-diisopropyl-phenoxy)-butyl]-thiazolidine [ No CAS ]
  • 83
  • [ 870-72-4 ]
  • [ 38914-60-2 ]
  • 3-[4-(4-bornan-2-yloxy-phenyl)-butyl]-thiazolidine [ No CAS ]
  • 86
  • [ 870-72-4 ]
  • [ 151-50-8 ]
  • [ 57-14-7 ]
  • [ 16142-32-8 ]
  • 87
  • [ 870-72-4 ]
  • [ 109-89-7 ]
  • [ 149339-66-2 ]
  • 88
  • [ 870-72-4 ]
  • [ 56-40-6 ]
  • [ 17785-66-9 ]
  • 90
  • [ 870-72-4 ]
  • [ 94-09-7 ]
  • p-Carbethoxyanilinomethansulfonsaeure-Na-Salz [ No CAS ]
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[ 870-72-4 ]

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Similarity: 0.71