葛雌素
TL;DR: 葛雌素 (CAS 31536-34-2) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葛雌素
(1S,3R,13S,16R,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one
Also Known As: Miroestrol, Mirestrol, (+)-Miroestrol, (+)-Miroesterol, RJKLDOLOCIQYFS-PRTISISMSA-
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 31536-34-2 |
|---|---|
| SMILES | CC1([C@H]2C[C@]3(CC(=O)[C@]([C@@H]2[C@H]3O)(C4=COC5=C([C@H]41)C=CC(=C5)O)O)O)C |
| InChIKey | RJKLDOLOCIQYFS-PRTISISMSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
葛雌素 (CAS 31536-34-2), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: (1S,3R,13S,16R,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one.
Chemical Property Profile of 葛雌素
Property Insights of 葛雌素
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 葛雌素. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 葛雌素. Following Lipinski's Rule of Five, 葛雌素 has 4 hydrogen bond donor(s) and 6 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 葛雌素?
The CAS number of 葛雌素 is 31536-34-2.
What is the molecular formula of 葛雌素?
The molecular formula of 葛雌素 is C20H22O6.
What is the molecular weight of 葛雌素?
The molecular weight of 葛雌素 is 358.14 g/mol.
Where can I buy 葛雌素?
You can request a quote for 葛雌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葛雌素?
Yes, KEHONG BIO provides custom synthesis services for 葛雌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.