3-Methoxyestra-1,3,5(10)-triene
TL;DR: 3-Methoxyestra-1,3,5(10)-triene (CAS 14550-57-3) is a chemical compound with molecular formula C19H26O and molecular weight 270.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Also Known As: 3-Methoxyestra-1,3,5(10)-triene, 3-Methoxy-1,3,5-estratriene, 3-Methoxyestra-1(10),2,4-triene, Estra-1,3,5(10)-triene, 3-methoxy-, 3-Methoxy-1,3,5(10)-estratriene
| Molecular Formula | C19H26O |
|---|---|
| Molecular Weight | 270.20 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.19836 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 14550-57-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)OC |
| InChIKey | UHDFDVNBHMUVOO-YRXWBPOGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyestra-1,3,5(10)-triene (CAS 14550-57-3), with molecular formula C19H26O and molecular weight 270.20 g/mol. IUPAC: (8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.
Chemical Property Profile of 3-Methoxyestra-1,3,5(10)-triene
Property Insights of 3-Methoxyestra-1,3,5(10)-triene
The XLogP value of 5.9 indicates that 3-Methoxyestra-1,3,5(10)-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Methoxyestra-1,3,5(10)-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-1,3,5(10)-triene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxyestra-1,3,5(10)-triene?
The CAS number of 3-Methoxyestra-1,3,5(10)-triene is 14550-57-3.
What is the molecular formula of 3-Methoxyestra-1,3,5(10)-triene?
The molecular formula of 3-Methoxyestra-1,3,5(10)-triene is C19H26O.
What is the molecular weight of 3-Methoxyestra-1,3,5(10)-triene?
The molecular weight of 3-Methoxyestra-1,3,5(10)-triene is 270.20 g/mol.
Where can I buy 3-Methoxyestra-1,3,5(10)-triene?
You can request a quote for 3-Methoxyestra-1,3,5(10)-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyestra-1,3,5(10)-triene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyestra-1,3,5(10)-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.