Estradiol, hydrocinnamate
TL;DR: Estradiol, hydrocinnamate (CAS 34297-84-2) is a chemical compound with molecular formula C27H32O3 and molecular weight 404.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
Also Known As: Estradiol, hydrocinnamate, Estradiol, monohydrocinnamate, KST-1A3996, Hydrocinnamic acid, monoester with estradiol, (17
| Molecular Formula | C27H32O3 |
|---|---|
| Molecular Weight | 404.24 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.23514 |
| Heavy Atoms | 30 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 34297-84-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)CCC5=CC=CC=C5 |
| InChIKey | VGRUNRLBMHTJER-RYIFMDQWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol, hydrocinnamate (CAS 34297-84-2), with molecular formula C27H32O3 and molecular weight 404.24 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate.
Chemical Property Profile of Estradiol, hydrocinnamate
Property Insights of Estradiol, hydrocinnamate
The XLogP value of 4.7 indicates that Estradiol, hydrocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Estradiol, hydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol, hydrocinnamate 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 Estradiol, hydrocinnamate?
The CAS number of Estradiol, hydrocinnamate is 34297-84-2.
What is the molecular formula of Estradiol, hydrocinnamate?
The molecular formula of Estradiol, hydrocinnamate is C27H32O3.
What is the molecular weight of Estradiol, hydrocinnamate?
The molecular weight of Estradiol, hydrocinnamate is 404.24 g/mol.
Where can I buy Estradiol, hydrocinnamate?
You can request a quote for Estradiol, hydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol, hydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol, hydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.