5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid
TL;DR: 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid (CAS 883102-77-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-cyanoanilino)-3-methyl-5-oxopentanoic acid
Also Known As: 5-(3-cyanophenylamino)-3-methyl-5-oxopentanoic acid, 5-(3-cyanoanilino)-3-methyl-5-oxopentanoic acid, 4-[(3-cyanophenyl)carbamoyl]-3-methyl-butanoic Acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.99768 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 491.25488 |
Chemical Identifiers
| CAS Number | 883102-77-0 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=CC(=C1)C#N)CC(=O)O |
Product Overview
5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid (CAS 883102-77-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 5-(3-cyanoanilino)-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid
Property Insights of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid
The XLogP value of 1.99768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 3 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 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid?
The CAS number of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid is 883102-77-0.
What is the molecular formula of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid?
The molecular formula of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid is C13H14N2O3.
What is the molecular weight of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid?
The molecular weight of 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid is 246.10 g/mol.
Where can I buy 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid?
You can request a quote for 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Cyanophenylamino)-3-methyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.