17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol
TL;DR: 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol (CAS 7438-72-4) is a chemical compound with molecular formula C18H24OS and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-17-sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol, 17-Sulfanylestra-1(10),2,4-trien-3-ol, ESTRA-1,3,5(10)-TRIEN-3-OL, 17-alpha-MERCAPTO-, Estra-1,5(10)-trien-3-ol, 17-mercapto-, 17-alpha-, 13-methyl-17-sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
| Molecular Formula | C18H24OS |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.1548 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 7438-72-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2S)CCC4=C3C=CC(=C4)O |
| InChIKey | BXHVPEXIOIUONM-UHFFFAOYSA-N |
Product Overview
17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol (CAS 7438-72-4), with molecular formula C18H24OS and molecular weight 288.15 g/mol. IUPAC: 13-methyl-17-sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol
Property Insights of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol
The XLogP value of 5.0 indicates that 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol has 2 hydrogen bond donor(s) and 2 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 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol?
The CAS number of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol is 7438-72-4.
What is the molecular formula of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol?
The molecular formula of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol is C18H24OS.
What is the molecular weight of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol?
The molecular weight of 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol is 288.15 g/mol.
Where can I buy 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol?
You can request a quote for 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 17-alpha-Mercaptoestra-1,3,5(10)-trien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.