RefChem:1057586
TL;DR: RefChem:1057586 (CAS 101915-06-4) is a chemical compound with molecular formula C26H44N2O4S and molecular weight 480.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-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;dihydrate
Also Known As: 17-beta-(2-(Butylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol dihydrate, ANDROST-4-ENE-3,17-alpha-DIOL, 17-(2-(BUTYLAMINO)-4-THIAZOLYL)-, (3R,8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-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 dihydrate, 17-(2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl)androst-4-ene-3,17-diol--water (1/2), 17-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol--water (1/2)
| Molecular Formula | C26H44N2O4S |
|---|---|
| Molecular Weight | 480.30 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.3022 |
| Heavy Atoms | 33 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 101915-06-4 |
|---|---|
| SMILES | CCCCNC1=NC(=CS1)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C[C@@H](CC[C@]45C)O)C)O.O.O |
| InChIKey | FVXUQCYMOHEQAI-OBDJZADISA-N |
Product Overview
RefChem:1057586 (CAS 101915-06-4), with molecular formula C26H44N2O4S and molecular weight 480.30 g/mol. IUPAC: (3R,8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-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;dihydrate.
Chemical Property Profile of RefChem:1057586
Property Insights of RefChem:1057586
The XLogP value of 4.22 indicates that RefChem:1057586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057586. Following Lipinski's Rule of Five, RefChem:1057586 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057586?
The CAS number of RefChem:1057586 is 101915-06-4.
What is the molecular formula of RefChem:1057586?
The molecular formula of RefChem:1057586 is C26H44N2O4S.
What is the molecular weight of RefChem:1057586?
The molecular weight of RefChem:1057586 is 480.30 g/mol.
Where can I buy RefChem:1057586?
You can request a quote for RefChem:1057586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057586?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.