17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate
TL;DR: 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate (CAS 55561-43-8) is a chemical compound with molecular formula C19H26O4S and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate
Also Known As: 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate, (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate
| Molecular Formula | C19H26O4S |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.15518 |
| Heavy Atoms | 24 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 55561-43-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)C |
| InChIKey | JWSATAREUUBWNC-UHFFFAOYSA-N |
Product Overview
17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate (CAS 55561-43-8), with molecular formula C19H26O4S and molecular weight 350.16 g/mol. IUPAC: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) methanesulfonate.
Chemical Property Profile of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate
Property Insights of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate. Following Lipinski's Rule of Five, 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate has 1 hydrogen bond donor(s) and 4 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-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate?
The CAS number of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate is 55561-43-8.
What is the molecular formula of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate?
The molecular formula of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate is C19H26O4S.
What is the molecular weight of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate?
The molecular weight of 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate is 350.16 g/mol.
Where can I buy 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate?
You can request a quote for 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxyestra-1,3,5(10)-trien-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.