17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene
TL;DR: 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene (CAS 4147-07-3) is a chemical compound with molecular formula C19H24OS and molecular weight 300.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene, 17-(Methylsulfanyl)estra-1(10),2,4,16-tetraen-3-ol, ESTRA-1,3,5(10),16-TETRAEN-3-OL, 17-(METHYLTHIO)-, 13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
| Molecular Formula | C19H24OS |
|---|---|
| Molecular Weight | 300.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.1548 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 4147-07-3 |
|---|---|
| SMILES | CC12CCC3C(C1CC=C2SC)CCC4=C3C=CC(=C4)O |
| InChIKey | GANBGVCVELYEBS-UHFFFAOYSA-N |
Product Overview
17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene (CAS 4147-07-3), with molecular formula C19H24OS and molecular weight 300.15 g/mol. IUPAC: 13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene
Property Insights of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene
The XLogP value of 5.1 indicates that 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene 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-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene?
The CAS number of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene is 4147-07-3.
What is the molecular formula of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene?
The molecular formula of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene is C19H24OS.
What is the molecular weight of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene?
The molecular weight of 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene is 300.15 g/mol.
Where can I buy 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene?
You can request a quote for 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene?
Yes, KEHONG BIO provides custom synthesis services for 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.