RefChem:319535
TL;DR: RefChem:319535 (CAS 96270-28-9) is a chemical compound with molecular formula C28H44N2O3S and molecular weight 488.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-17-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
Also Known As: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(cyclohexylamino)-4-thiazolyl)-, monohydrate, 17-beta-(2-(Cyclohexylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol monohydrate, (3S,8R,9S,10R,13S,14S,17R)-17-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate, 17-[2-(Cyclohexylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol--water (1/1), 17beta-[2-(Cyclohexylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3beta,17alpha-diol--water (1/1)
| Molecular Formula | C28H44N2O3S |
|---|---|
| Molecular Weight | 488.31 g/mol |
| LogP | 5.57 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.30725 |
| Heavy Atoms | 34 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 96270-28-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC6CCCCC6)O)C)O.O |
| InChIKey | PFESEJKRCBBLJU-STEVMJDDSA-N |
Product Overview
RefChem:319535 (CAS 96270-28-9), with molecular formula C28H44N2O3S and molecular weight 488.31 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate.
Chemical Property Profile of RefChem:319535
Property Insights of RefChem:319535
The XLogP value of 5.57 indicates that RefChem:319535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319535. Following Lipinski's Rule of Five, RefChem:319535 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319535?
The CAS number of RefChem:319535 is 96270-28-9.
What is the molecular formula of RefChem:319535?
The molecular formula of RefChem:319535 is C28H44N2O3S.
What is the molecular weight of RefChem:319535?
The molecular weight of RefChem:319535 is 488.31 g/mol.
Where can I buy RefChem:319535?
You can request a quote for RefChem:319535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319535?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.