4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid
TL;DR: 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid (CAS 16201-73-3) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-cyanonaphthalen-2-yl)amino]-4-oxobutanoic acid
Also Known As: NCIStruc1_000913, NCIStruc2_000818, NCI60_002111, 4-[(1-cyanonaphthalen-2-yl)amino]-4-oxobutanoic acid, 4-(1-cyanonaphthalen-2-ylamino)-4-oxobutanoic acid
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 16201-73-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C#N)NC(=O)CCC(=O)O |
| InChIKey | QBAJQKUIUQGUSG-UHFFFAOYSA-N |
Product Overview
4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid (CAS 16201-73-3), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: 4-[(1-cyanonaphthalen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid
Property Insights of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid has 2 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 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid?
The CAS number of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid is 16201-73-3.
What is the molecular formula of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid?
The molecular formula of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid is C15H12N2O3.
What is the molecular weight of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid?
The molecular weight of 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid is 268.08 g/mol.
Where can I buy 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid?
You can request a quote for 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.