3-Methoxyestra-1,3,5(10)-triene-4,17-diol
TL;DR: 3-Methoxyestra-1,3,5(10)-triene-4,17-diol (CAS 5976-66-9) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4,17-diol
Also Known As: 3-Methoxyestra-1,3,5(10)-triene-4,17-diol, 3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4,17-diol
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 5976-66-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)OC |
| InChIKey | QREWTGIWXABZAC-UHFFFAOYSA-N |
Product Overview
3-Methoxyestra-1,3,5(10)-triene-4,17-diol (CAS 5976-66-9), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: 3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4,17-diol.
Chemical Property Profile of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol
Property Insights of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol
The XLogP value of 4.0 indicates that 3-Methoxyestra-1,3,5(10)-triene-4,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3-Methoxyestra-1,3,5(10)-triene-4,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-1,3,5(10)-triene-4,17-diol has 2 hydrogen bond donor(s) and 3 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 3-Methoxyestra-1,3,5(10)-triene-4,17-diol?
The CAS number of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol is 5976-66-9.
What is the molecular formula of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol?
The molecular formula of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol is C19H26O3.
What is the molecular weight of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol?
The molecular weight of 3-Methoxyestra-1,3,5(10)-triene-4,17-diol is 302.19 g/mol.
Where can I buy 3-Methoxyestra-1,3,5(10)-triene-4,17-diol?
You can request a quote for 3-Methoxyestra-1,3,5(10)-triene-4,17-diol 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-4,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyestra-1,3,5(10)-triene-4,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.