3-Methoxyestra-1(10),2,4-triene-17-thiol
TL;DR: 3-Methoxyestra-1(10),2,4-triene-17-thiol (CAS 102020-76-8) is a chemical compound with molecular formula C19H26OS and molecular weight 302.17044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-thiol
Also Known As: 3-Methoxyestra-1(10),2,4-triene-17-thiol, 3-Methoxyestra-1(10),2,4-triene-17beta-thiol, 3-Methoxyestra-1,3,5(10)-triene-17-alpha-thiol, 3-Methoxy-delta(1,3,5)-estratriene-17-alpha-thiol, ESTRA-1,3,5(10)-TRIENE-17-alpha-THIOL, 3-METHOXY-
Technical Specifications
| Molecular Formula | C19H26OS |
| Molecular Weight | 302.17044 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.17044 Da |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
| SMILES | CC12CCC3C(C1CC[C@H]2S)CCC4=C3C=CC(=C4)OC |
| InChIKey | HBZMJQDNLJCESO-GSBYPIHSSA-N |
Chemical Property Profile of 3-Methoxyestra-1(10),2,4-triene-17-thiol
Property Insights of 3-Methoxyestra-1(10),2,4-triene-17-thiol
The XLogP value of 4.0 indicates that 3-Methoxyestra-1(10),2,4-triene-17-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 10.2 Ų, 3-Methoxyestra-1(10),2,4-triene-17-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-1(10),2,4-triene-17-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methoxyestra-1(10),2,4-triene-17-thiol?
The CAS number of 3-Methoxyestra-1(10),2,4-triene-17-thiol is 102020-76-8.
What is the molecular formula of 3-Methoxyestra-1(10),2,4-triene-17-thiol?
The molecular formula of 3-Methoxyestra-1(10),2,4-triene-17-thiol is C19H26OS.
What is the molecular weight of 3-Methoxyestra-1(10),2,4-triene-17-thiol?
The molecular weight of 3-Methoxyestra-1(10),2,4-triene-17-thiol is 302.17044 g/mol.
Where can I buy 3-Methoxyestra-1(10),2,4-triene-17-thiol?
You can request a quote for 3-Methoxyestra-1(10),2,4-triene-17-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxyestra-1(10),2,4-triene-17-thiol?
Yes, CoreyChem provides custom synthesis services for 3-Methoxyestra-1(10),2,4-triene-17-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.