Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate
TL;DR: Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate (CAS 18069-79-9) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate
Also Known As: Estradiol 17-butyrate, Estradiol Butyrate, Estradiol, 17-butyrate, Estradiol,17-butyrate, 17-Butyrate Estradiol
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 18069-79-9 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| InChIKey | XRKFWLKYSYKIKT-KOVVAJLHSA-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 (17beta)-, 17-butanoate (CAS 18069-79-9), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate
Property Insights of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate
The XLogP value of 5.4 indicates that Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate 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 (17beta)-, 17-butanoate 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 (17beta)-, 17-butanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate is 18069-79-9.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate is C22H30O3.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate is 342.22 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate 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 (17beta)-, 17-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.