Estradiol-7alpha-butyric acid
TL;DR: Estradiol-7alpha-butyric acid (CAS 55592-40-0) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid
Also Known As: Estradiol-7alpha-butyric acid, Estradiol-7?-butyric Acid, 4-[3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]butanoic acid, 3,17beta-Dihydroxy-1,3,5(10)-estratriene-7alpha-butanoic acid, 4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 55592-40-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCC(=O)O |
| InChIKey | CREQPSVLNJPFSL-HHZNEMGLSA-N |
Product Overview
Estradiol-7alpha-butyric acid (CAS 55592-40-0), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid.
Chemical Property Profile of Estradiol-7alpha-butyric acid
Property Insights of Estradiol-7alpha-butyric acid
The XLogP value of 4.1 indicates that Estradiol-7alpha-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol-7alpha-butyric acid. Following Lipinski's Rule of Five, Estradiol-7alpha-butyric acid has 3 hydrogen bond donor(s) and 4 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-7alpha-butyric acid?
The CAS number of Estradiol-7alpha-butyric acid is 55592-40-0.
What is the molecular formula of Estradiol-7alpha-butyric acid?
The molecular formula of Estradiol-7alpha-butyric acid is C22H30O4.
What is the molecular weight of Estradiol-7alpha-butyric acid?
The molecular weight of Estradiol-7alpha-butyric acid is 358.21 g/mol.
Where can I buy Estradiol-7alpha-butyric acid?
You can request a quote for Estradiol-7alpha-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-7alpha-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-7alpha-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.