2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid
TL;DR: 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid (CAS 1026764-52-2) is a chemical compound with molecular formula C18H19ClN2O4 and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid
Also Known As: 2-(benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid, F1124-0021, 2-(benzylamino)-4-((5-chloro-2-methoxyphenyl)amino)-4-oxobutanoic acid, 2-(benzylamino)-3-[(5-chloro-2-methoxy-phenyl)carbamoyl]propanoic Acid, 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-[benzylamino]propanoic acid
| Molecular Formula | C18H19ClN2O4 |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 2.9202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.10333 |
| Heavy Atoms | 25 |
| Complexity | 737.11084 |
Chemical Identifiers
| CAS Number | 1026764-52-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 |
Product Overview
2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid (CAS 1026764-52-2), with molecular formula C18H19ClN2O4 and molecular weight 362.10 g/mol. IUPAC: 2-(benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid
Property Insights of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid
The XLogP value of 2.9202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid has 3 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 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid?
The CAS number of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid is 1026764-52-2.
What is the molecular formula of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid?
The molecular formula of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid is C18H19ClN2O4.
What is the molecular weight of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid?
The molecular weight of 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid is 362.10 g/mol.
Where can I buy 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid?
You can request a quote for 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-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 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.