Estra-1,3,5(10)-triene-3,17-diol, 17-acetate
TL;DR: Estra-1,3,5(10)-triene-3,17-diol, 17-acetate (CAS 6045-67-6) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 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-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Estradiol 17-acetate, Estradiol 17beta-acetate, Estra-1,3,5(10)-triene-3,17-diol, 17-acetate, J3.192.912A, Estra-1,3,5(10)-triene-3,17-diol 17-acetate
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 6045-67-6 |
|---|---|
| SMILES | CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| InChIKey | QAHOQNJVHDHYRN-QDSUGMFFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estra-1,3,5(10)-triene-3,17-diol, 17-acetate (CAS 6045-67-6), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: [(8R,9S,13S,14S)-3-hydroxy-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, 17-acetate
Property Insights of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate
The XLogP value of 4.6 indicates that Estra-1,3,5(10)-triene-3,17-diol, 17-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Estra-1,3,5(10)-triene-3,17-diol, 17-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol, 17-acetate has 1 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 Estra-1,3,5(10)-triene-3,17-diol, 17-acetate?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate is 6045-67-6.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate is C20H26O3.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 17-acetate is 314.19 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol, 17-acetate?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol, 17-acetate 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, 17-acetate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol, 17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.