Estrapronicate
TL;DR: Estrapronicate (CAS 4140-20-9) is a chemical compound with molecular formula C27H31NO4 and molecular weight 433.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
Also Known As: Estrapronicate, Estrapronicato, Estrapronicatum, Estrapronicate [INN], Estrapronicatum [INN-Latin]
| Molecular Formula | C27H31NO4 |
|---|---|
| Molecular Weight | 433.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.2253 |
| Heavy Atoms | 32 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 4140-20-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C5=CN=CC=C5)C |
| InChIKey | FXMSQUVSUXBBAB-TXDQRGGKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estrapronicate (CAS 4140-20-9), with molecular formula C27H31NO4 and molecular weight 433.23 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate.
Chemical Property Profile of Estrapronicate
Property Insights of Estrapronicate
The XLogP value of 4.4 indicates that Estrapronicate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrapronicate. Following Lipinski's Rule of Five, Estrapronicate has 0 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 Estrapronicate?
The CAS number of Estrapronicate is 4140-20-9.
What is the molecular formula of Estrapronicate?
The molecular formula of Estrapronicate is C27H31NO4.
What is the molecular weight of Estrapronicate?
The molecular weight of Estrapronicate is 433.23 g/mol.
Where can I buy Estrapronicate?
You can request a quote for Estrapronicate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrapronicate?
Yes, KEHONG BIO provides custom synthesis services for Estrapronicate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.