6-Dehydroestrone
TL;DR: 6-Dehydroestrone (CAS 2208-12-0) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
Also Known As: 6-Dehydroestrone, Dehydro-estrone, 6,7-Didehydroestrone, delta6-Estrone, .delta.6-Estrone
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 2208-12-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O |
| InChIKey | WTRRIQCGCGCMQA-CBZIJGRNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Dehydroestrone (CAS 2208-12-0), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 6-Dehydroestrone
Property Insights of 6-Dehydroestrone
The XLogP value of 3.4 indicates that 6-Dehydroestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Dehydroestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Dehydroestrone has 1 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 6-Dehydroestrone?
The CAS number of 6-Dehydroestrone is 2208-12-0.
What is the molecular formula of 6-Dehydroestrone?
The molecular formula of 6-Dehydroestrone is C18H20O2.
What is the molecular weight of 6-Dehydroestrone?
The molecular weight of 6-Dehydroestrone is 268.15 g/mol.
Where can I buy 6-Dehydroestrone?
You can request a quote for 6-Dehydroestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Dehydroestrone?
Yes, KEHONG BIO provides custom synthesis services for 6-Dehydroestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.