Estradiol hemisuccinate
TL;DR: Estradiol hemisuccinate (CAS 7698-93-3) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
Also Known As: beta-Estradiol 17-hemisuccinate, 17beta-Estradiol hemisuccinate, ESTRADIOL HEMISUCCINATE, Eutocol (TN), A-Estradiol 17-hemisuccinate
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 7698-93-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | YJPIDPAGJSWWBE-FNIAAEIWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol hemisuccinate (CAS 7698-93-3), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: 4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Estradiol hemisuccinate
Property Insights of Estradiol hemisuccinate
The XLogP value of 4.0 indicates that Estradiol hemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol hemisuccinate. Following Lipinski's Rule of Five, Estradiol hemisuccinate has 2 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 Estradiol hemisuccinate?
The CAS number of Estradiol hemisuccinate is 7698-93-3.
What is the molecular formula of Estradiol hemisuccinate?
The molecular formula of Estradiol hemisuccinate is C22H28O5.
What is the molecular weight of Estradiol hemisuccinate?
The molecular weight of Estradiol hemisuccinate is 372.19 g/mol.
Where can I buy Estradiol hemisuccinate?
You can request a quote for Estradiol hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.