Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-
TL;DR: Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- (CAS 7291-57-8) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-acetyloxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 2-Methoxyestradiol diacetate, Estradiol, 2-methoxy-, diacetate, Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-, 2-Methoxyestra-1(10),2,4-triene-3,17-diyl diacetate, Estra-1,3,5(10)-triene-3,17beta-diol, 2-methoxy-, diacetate
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 7291-57-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)OC)OC(=O)C)C |
| InChIKey | JAEBGPSCSOGTSV-JIAAILLZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- (CAS 7291-57-8), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-acetyloxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-
Property Insights of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-
The XLogP value of 4.7 indicates that Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- has 0 hydrogen bond donor(s) and 5 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 Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- is 7291-57-8.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- is C23H30O5.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- is 386.21 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, diacetate, (17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.