4-Hydroxyestradiol-3,4-dibenzoate
TL;DR: 4-Hydroxyestradiol-3,4-dibenzoate (CAS 79795-26-9) is a chemical compound with molecular formula C32H32O5 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 4-Hedb, 4-Hydroxyestradiol-3,4-dibenzoate, 4-hydroxyestradiol 3,4-dibenzoate, KST-1A8504, (17
| Molecular Formula | C32H32O5 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.22498 |
| Heavy Atoms | 37 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 79795-26-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | QDVOPEJPVDIRMO-IZUDCGBRSA-N |
Product Overview
4-Hydroxyestradiol-3,4-dibenzoate (CAS 79795-26-9), with molecular formula C32H32O5 and molecular weight 496.22 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of 4-Hydroxyestradiol-3,4-dibenzoate
Property Insights of 4-Hydroxyestradiol-3,4-dibenzoate
The XLogP value of 7.2 indicates that 4-Hydroxyestradiol-3,4-dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyestradiol-3,4-dibenzoate. Following Lipinski's Rule of Five, 4-Hydroxyestradiol-3,4-dibenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxyestradiol-3,4-dibenzoate?
The CAS number of 4-Hydroxyestradiol-3,4-dibenzoate is 79795-26-9.
What is the molecular formula of 4-Hydroxyestradiol-3,4-dibenzoate?
The molecular formula of 4-Hydroxyestradiol-3,4-dibenzoate is C32H32O5.
What is the molecular weight of 4-Hydroxyestradiol-3,4-dibenzoate?
The molecular weight of 4-Hydroxyestradiol-3,4-dibenzoate is 496.22 g/mol.
Where can I buy 4-Hydroxyestradiol-3,4-dibenzoate?
You can request a quote for 4-Hydroxyestradiol-3,4-dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyestradiol-3,4-dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyestradiol-3,4-dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.