Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
TL;DR: Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate (CAS 7404-85-5) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
Also Known As: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate, 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeric acid methyl ester, METHYL 2-CYANO-5-OXO-2-(3-OXO-3-PHENYL-PROPYL)-5-PHENYL-PENTANOATE
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 7404-85-5 |
|---|---|
| SMILES | COC(=O)C(CCC(=O)C1=CC=CC=C1)(CCC(=O)C2=CC=CC=C2)C#N |
| InChIKey | IHHWCIFPTKGKEP-UHFFFAOYSA-N |
Product Overview
Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate (CAS 7404-85-5), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate.
Chemical Property Profile of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
Property Insights of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
The XLogP value of 3.2 indicates that Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate. Following Lipinski's Rule of Five, Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate 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 Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate?
The CAS number of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate is 7404-85-5.
What is the molecular formula of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate?
The molecular formula of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate is C22H21NO4.
What is the molecular weight of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate?
The molecular weight of Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate is 363.15 g/mol.
Where can I buy Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate?
You can request a quote for Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.