N-(5-chloro-2-methoxyphenyl)asparagine
TL;DR: N-(5-chloro-2-methoxyphenyl)asparagine (CAS 1031899-49-6) is a chemical compound with molecular formula C11H13ClN2O4 and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid
Also Known As: N-(5-chloro-2-methoxyphenyl)asparagine, N4-(5-chloro-2-methoxyphenyl)asparagine, 2-amino-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid, F1977-0009, 2-amino-3-(N-5-chloro-2-methoxyphenylcarbamoyl)propionic acid
| Molecular Formula | C11H13ClN2O4 |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.0891 |
| Topological Polar Surface Area | 101.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0564 |
| Heavy Atoms | 18 |
| Complexity | 464.35648 |
Chemical Identifiers
| CAS Number | 1031899-49-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)N |
Product Overview
N-(5-chloro-2-methoxyphenyl)asparagine (CAS 1031899-49-6), with molecular formula C11H13ClN2O4 and molecular weight 272.06 g/mol. IUPAC: 2-amino-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid.
Chemical Property Profile of N-(5-chloro-2-methoxyphenyl)asparagine
Property Insights of N-(5-chloro-2-methoxyphenyl)asparagine
The XLogP value of 1.0891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methoxyphenyl)asparagine. The TPSA of 101.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methoxyphenyl)asparagine. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)asparagine 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 N-(5-chloro-2-methoxyphenyl)asparagine?
The CAS number of N-(5-chloro-2-methoxyphenyl)asparagine is 1031899-49-6.
What is the molecular formula of N-(5-chloro-2-methoxyphenyl)asparagine?
The molecular formula of N-(5-chloro-2-methoxyphenyl)asparagine is C11H13ClN2O4.
What is the molecular weight of N-(5-chloro-2-methoxyphenyl)asparagine?
The molecular weight of N-(5-chloro-2-methoxyphenyl)asparagine is 272.06 g/mol.
Where can I buy N-(5-chloro-2-methoxyphenyl)asparagine?
You can request a quote for N-(5-chloro-2-methoxyphenyl)asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methoxyphenyl)asparagine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methoxyphenyl)asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.