Estrone, methanesulfonate
TL;DR: Estrone, methanesulfonate (CAS 38511-09-0) is a chemical compound with molecular formula C19H24O4S and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] methanesulfonate
Also Known As: Estrone, methanesulfonate, 3-(Methylsulfonyloxy)estra-1,3,5(10)-triene-17-one, [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octah, (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl methanesulfonate, [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] methanesulfonate
| Molecular Formula | C19H24O4S |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.13953 |
| Heavy Atoms | 24 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 38511-09-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)C |
| InChIKey | LOGOAZBRSNBVIZ-VXNCWWDNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estrone, methanesulfonate (CAS 38511-09-0), with molecular formula C19H24O4S and molecular weight 348.14 g/mol. IUPAC: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] methanesulfonate.
Chemical Property Profile of Estrone, methanesulfonate
Property Insights of Estrone, methanesulfonate
The XLogP value of 3.0 indicates that Estrone, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrone, methanesulfonate. Following Lipinski's Rule of Five, Estrone, methanesulfonate has 0 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 Estrone, methanesulfonate?
The CAS number of Estrone, methanesulfonate is 38511-09-0.
What is the molecular formula of Estrone, methanesulfonate?
The molecular formula of Estrone, methanesulfonate is C19H24O4S.
What is the molecular weight of Estrone, methanesulfonate?
The molecular weight of Estrone, methanesulfonate is 348.14 g/mol.
Where can I buy Estrone, methanesulfonate?
You can request a quote for Estrone, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Estrone, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.