Home Cart 0 Sign in  

[ CAS No. 155130-15-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 155130-15-7
Chemical Structure| 155130-15-7
Structure of 155130-15-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 155130-15-7 ]

Related Doc. of [ 155130-15-7 ]

Alternatived Products of [ 155130-15-7 ]

Product Details of [ 155130-15-7 ]

CAS No. :155130-15-7 MDL No. :MFCD22574780
Formula : C17H28O8S Boiling Point : -
Linear Structure Formula :- InChI Key :NSODVVYOWINKAG-UHFFFAOYSA-N
M.W : 392.46 Pubchem ID :15198040
Synonyms :
Chemical Name :14-Hydroxy-3,6,9,12-tetraoxatetradecyl 4-methylbenzenesulfonate

Calculated chemistry of [ 155130-15-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.65
Num. rotatable bonds : 16
Num. H-bond acceptors : 8.0
Num. H-bond donors : 1.0
Molar Refractivity : 94.35
TPSA : 108.9 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) : -8.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.98
Log Po/w (XLOGP3) : 0.17
Log Po/w (WLOGP) : 1.84
Log Po/w (MLOGP) : 0.18
Log Po/w (SILICOS-IT) : 2.29
Consensus Log Po/w : 1.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.5
Solubility : 12.6 mg/ml ; 0.032 mol/l
Class : Very soluble
Log S (Ali) : -2.01
Solubility : 3.8 mg/ml ; 0.00967 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.81
Solubility : 0.00602 mg/ml ; 0.0000153 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.66

Safety of [ 155130-15-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 155130-15-7 ]

* 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 [ 155130-15-7 ]
  • Downstream synthetic route of [ 155130-15-7 ]

[ 155130-15-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 4792-15-8 ]
  • [ 98-59-9 ]
  • [ 41024-91-3 ]
  • [ 155130-15-7 ]
Reference: [1] Organic Letters, 2002, vol. 4, # 14, p. 2329 - 2332
Recommend Products
Same Skeleton Products
Historical Records