17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol
TL;DR: 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol (CAS 108619-67-6) 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.
(17S)-13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol, 17-beta-(Methylthio)estra-1,3,5(10)-trien-3-ol, 17alpha-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol, ESTRA-1,3,5(10)-TRIEN-3-OL, 17-beta-(METHYLTHIO)-, (17S)-13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Technical Specifications
| Molecular Formula | C19H26OS |
| Molecular Weight | 302.17044 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 45.5 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]2SC)CCC4=C3C=CC(=C4)O |
| InChIKey | HKULWYSNQPZVSM-NNGLDNROSA-N |
Chemical Property Profile of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol
Property Insights of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol
The XLogP value of 5.3 indicates that 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol?
The CAS number of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol is 108619-67-6.
What is the molecular formula of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol?
The molecular formula of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol is C19H26OS.
What is the molecular weight of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol?
The molecular weight of 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol is 302.17044 g/mol.
Where can I buy 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol?
You can request a quote for 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol?
Yes, CoreyChem provides custom synthesis services for 17-(Methylsulfanyl)estra-1(10),2,4-trien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.