![4-[(3-cyanophenyl)carbamoyl]butanoic Acid structure](/static/products/875/875061-77-1.png)
4-[(3-cyanophenyl)carbamoyl]butanoic Acid
TL;DR: 4-[(3-cyanophenyl)carbamoyl]butanoic Acid (CAS 875061-77-1) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-cyanoanilino)-5-oxopentanoic acid
Also Known As: 4-[(3-cyanophenyl)carbamoyl]butanoic Acid, 5-(3-cyanoanilino)-5-oxopentanoic acid, A1-00746
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.75168 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 463.0637 |
Chemical Identifiers
| CAS Number | 875061-77-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCCC(=O)O)C#N |
Product Overview
4-[(3-cyanophenyl)carbamoyl]butanoic Acid (CAS 875061-77-1), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 5-(3-cyanoanilino)-5-oxopentanoic acid.
Chemical Property Profile of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid
Property Insights of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid
The XLogP value of 1.75168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-cyanophenyl)carbamoyl]butanoic Acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-cyanophenyl)carbamoyl]butanoic Acid. Following Lipinski's Rule of Five, 4-[(3-cyanophenyl)carbamoyl]butanoic 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 4-[(3-cyanophenyl)carbamoyl]butanoic Acid?
The CAS number of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid is 875061-77-1.
What is the molecular formula of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid?
The molecular formula of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid is C12H12N2O3.
What is the molecular weight of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid?
The molecular weight of 4-[(3-cyanophenyl)carbamoyl]butanoic Acid is 232.08 g/mol.
Where can I buy 4-[(3-cyanophenyl)carbamoyl]butanoic Acid?
You can request a quote for 4-[(3-cyanophenyl)carbamoyl]butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-cyanophenyl)carbamoyl]butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-cyanophenyl)carbamoyl]butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.