5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)
TL;DR: 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) (CAS 5226-12-0) is a chemical compound with molecular formula C19H22F6N4O5S and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI), butyl N-[2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, butyl 1-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate, Butyl hydrogen (2-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino}-1,1,1,3,3,3-hexafluoropropan-2-yl)carbonimidate, Carbamic acid, N-[1-[[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, butyl ester
| Molecular Formula | C19H22F6N4O5S |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 4.85134 |
| Topological Polar Surface Area | 122.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.1215 |
| Heavy Atoms | 35 |
| Complexity | 1116.0824 |
Chemical Identifiers
| CAS Number | 5226-12-0 |
|---|---|
| SMILES | CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C |
Product Overview
5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) (CAS 5226-12-0), with molecular formula C19H22F6N4O5S and molecular weight 532.12 g/mol. IUPAC: butyl N-[2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)
Property Insights of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)
The XLogP value of 4.85134 indicates that 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI). Following Lipinski's Rule of Five, 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)?
The CAS number of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) is 5226-12-0.
What is the molecular formula of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)?
The molecular formula of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) is C19H22F6N4O5S.
What is the molecular weight of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)?
The molecular weight of 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) is 532.12 g/mol.
Where can I buy 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)?
You can request a quote for 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI)?
Yes, KEHONG BIO provides custom synthesis services for 5b-Pregnan-20-one,3b-mercapto- (7CI,8CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.