(16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one
TL;DR: (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one (CAS 4091-75-2) is a chemical compound with molecular formula C19H23ClO2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R)-16-chloro-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Clomestrone, atheran, Arterolo, Clomestron, Iposclerone
| Molecular Formula | C19H23ClO2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.13867 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 4091-75-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)Cl)CCC4=C3C=CC(=C4)OC |
| InChIKey | UQIPVSBPFZSWGD-ILYVXUQDSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one (CAS 4091-75-2), with molecular formula C19H23ClO2 and molecular weight 318.14 g/mol. IUPAC: (8R,9S,13S,14S,16R)-16-chloro-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one
Property Insights of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one
The XLogP value of 4.2 indicates that (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one has 0 hydrogen bond donor(s) and 2 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 (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one?
The CAS number of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one is 4091-75-2.
What is the molecular formula of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one?
The molecular formula of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one is C19H23ClO2.
What is the molecular weight of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one?
The molecular weight of (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one is 318.14 g/mol.
Where can I buy (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one?
You can request a quote for (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for (16alpha)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.