Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)
TL;DR: Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) (CAS 75219-61-3) is a chemical compound with molecular formula C27H30O5 and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-(2-hydroxyacetyl)oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: KM 2404, Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate), 17-[(Hydroxyacetyl)oxy]estra-1(10),2,4-trien-3-yl benzoate, 17beta-[(Hydroxyacetyl)oxy]estra-1(10),2,4-trien-3-yl benzoate, [(8R,9S,13S,14S,17S)-17-(2-hydroxyacetyl)oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
| Molecular Formula | C27H30O5 |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 4.666 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.20932 |
| Heavy Atoms | 32 |
| Complexity | 1015.96173 |
Chemical Identifiers
| CAS Number | 75219-61-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CO)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) (CAS 75219-61-3), with molecular formula C27H30O5 and molecular weight 434.21 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-(2-hydroxyacetyl)oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)
Property Insights of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)
The XLogP value of 4.666 indicates that Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate). Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) has 1 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, (17-beta)-, 3-benzoate 17-(hydroxyacetate)?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) is 75219-61-3.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) is C27H30O5.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) is 434.21 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) 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-beta)-, 3-benzoate 17-(hydroxyacetate)?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.