Home Cart 0 Sign in  

[ CAS No. 15103-48-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 15103-48-7
Chemical Structure| 15103-48-7
Structure of 15103-48-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 15103-48-7 ]

Related Doc. of [ 15103-48-7 ]

Alternatived Products of [ 15103-48-7 ]

Product Details of [ 15103-48-7 ]

CAS No. :15103-48-7 MDL No. :MFCD00234080
Formula : C5H5NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :KZVLNAGYSAKYMG-UHFFFAOYSA-N
M.W : 159.16 Pubchem ID :94849
Synonyms :

Calculated chemistry of [ 15103-48-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.1
TPSA : 75.64 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.05
Log Po/w (XLOGP3) : -0.07
Log Po/w (WLOGP) : 1.41
Log Po/w (MLOGP) : -0.53
Log Po/w (SILICOS-IT) : -0.21
Consensus Log Po/w : 0.13

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.16
Solubility : 11.0 mg/ml ; 0.0691 mol/l
Class : Very soluble
Log S (Ali) : -1.07
Solubility : 13.6 mg/ml ; 0.0857 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.36
Solubility : 6.9 mg/ml ; 0.0434 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 15103-48-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 UN#:3261
Hazard Statements:H314-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 15103-48-7 ]

* 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.

  • Upstream synthesis route of [ 15103-48-7 ]
  • Downstream synthetic route of [ 15103-48-7 ]

[ 15103-48-7 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 15103-48-7 ]
  • [ 4930-98-7 ]
Reference: [1] Gazzetta Chimica Italiana, 1943, vol. 73, p. 323,327
  • 2
  • [ 2637-34-5 ]
  • [ 15103-48-7 ]
Reference: [1] European Journal of Inorganic Chemistry, 2004, # 2, p. 356 - 367
[2] Patent: US2708669, 1952, ,
[3] Recueil des Travaux Chimiques des Pays-Bas, 1958, vol. 77, p. 963,968, 970
  • 3
  • [ 2127-03-9 ]
  • [ 15103-48-7 ]
Reference: [1] Chemical Communications, 2015, vol. 51, # 8, p. 1425 - 1428
  • 4
  • [ 111625-28-6 ]
  • [ 15103-48-7 ]
  • [ 1892-29-1 ]
Reference: [1] Chemical Communications, 2015, vol. 51, # 8, p. 1425 - 1428
  • 5
  • [ 15103-48-7 ]
  • [ 18621-17-5 ]
  • [ 40320-60-3 ]
YieldReaction ConditionsOperation in experiment
60% With triethylamine In dimethyl sulfoxide at 50℃; for 0.666667 h; 1)
1-Benzhydrylazetidin-3-one
Pyridinesulfonic acid (19.7 g) in dimethyl sulfoxide (84 mL) was added dropwise to 1-benzhydrylazetidin-3-ol (4.79 g) in triethylamine (27.9 mL) under cooling on ice, followed by stirring at 50°C for 40 minutes.
The reaction mixture was partitioned between ice-water and ethyl acetate.
The organic layer was washed with saturated brine, followed by drying over magnesium sulfate anhydrate.
After a filtration step, the solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography (hexane - ethyl acetate), to thereby give 1-benzhydrylazetidin-3-one as a solid product (2.85 g, 60percent).
1H-NMR(400MHz,CDCl3)δ:4.00(4H,s), 4.59(1H,s), 7.19-7.49(10H,m).
Reference: [1] Patent: EP1762568, 2007, A1, . Location in patent: Page/Page column 37
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 15103-48-7 ]

Sulfonic Acids

Chemical Structure| 1914148-55-2

[ 1914148-55-2 ]

3-Methylpyridine-2-sulfonic acid hydrate

Similarity: 0.88

Chemical Structure| 636-73-7

[ 636-73-7 ]

Pyridine-3-sulfonic acid

Similarity: 0.55

Chemical Structure| 27655-40-9

[ 27655-40-9 ]

Isoquinoline-5-sulfonic acid

Similarity: 0.54

Chemical Structure| 4808-69-9

[ 4808-69-9 ]

6-Methylpyridine-3-sulfonic acid

Similarity: 0.53

Chemical Structure| 16250-08-1

[ 16250-08-1 ]

6-Aminopyridine-3-sulfonic acid

Similarity: 0.52

Related Parent Nucleus of
[ 15103-48-7 ]

Pyridines

Chemical Structure| 1914148-55-2

[ 1914148-55-2 ]

3-Methylpyridine-2-sulfonic acid hydrate

Similarity: 0.88

Chemical Structure| 63636-89-5

[ 63636-89-5 ]

Pyridine-2-sulfonamide

Similarity: 0.65

Chemical Structure| 878376-35-3

[ 878376-35-3 ]

Pyridine-2-sulfonyl fluoride

Similarity: 0.65

Chemical Structure| 75903-58-1

[ 75903-58-1 ]

6-Aminopyridine-2-sulfonamide

Similarity: 0.62

Chemical Structure| 21948-75-4

[ 21948-75-4 ]

2-(Methylsulfinyl)pyridine

Similarity: 0.62