1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol
TL;DR: 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol (CAS 4787-75-1) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17S)-3-methoxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 4-Methyl-3-methoxyestradiol, 3-Methoxy-4-methylestra-1,3,5(10)-trien-17-beta-ol, 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol, ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 3-METHOXY-4-METHYL-, 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17alpha-ol
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4787-75-1 |
|---|---|
| SMILES | CC1=C(C=CC2=C1CCC3C2CCC4(C3CC[C@@H]4O)C)OC |
| InChIKey | NGINMLINNBUIBK-DRZUXFPHSA-N |
Product Overview
1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol (CAS 4787-75-1), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: (17S)-3-methoxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol
Property Insights of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol
The XLogP value of 4.7 indicates that 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol 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 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol?
The CAS number of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol is 4787-75-1.
What is the molecular formula of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol?
The molecular formula of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol is C20H28O2.
What is the molecular weight of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol?
The molecular weight of 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol is 300.21 g/mol.
Where can I buy 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol?
You can request a quote for 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.