n2-Acetyl-n-phenylasparagine
TL;DR: n2-Acetyl-n-phenylasparagine (CAS 31195-17-2) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4-anilino-4-oxobutanoic acid
Also Known As: n2-acetyl-n-phenylasparagine, N~2~-Acetyl-N-phenylasparagine, N2-acetyl-N4-phenyl-DL-asparagine, 2-acetamido-4-anilino-4-oxobutanoic acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 31195-17-2 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)O |
| InChIKey | NBBQFWPLWZJVOP-UHFFFAOYSA-N |
Product Overview
n2-Acetyl-n-phenylasparagine (CAS 31195-17-2), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 2-acetamido-4-anilino-4-oxobutanoic acid.
Chemical Property Profile of n2-Acetyl-n-phenylasparagine
Property Insights of n2-Acetyl-n-phenylasparagine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n2-Acetyl-n-phenylasparagine. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for n2-Acetyl-n-phenylasparagine. Following Lipinski's Rule of Five, n2-Acetyl-n-phenylasparagine 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 n2-Acetyl-n-phenylasparagine?
The CAS number of n2-Acetyl-n-phenylasparagine is 31195-17-2.
What is the molecular formula of n2-Acetyl-n-phenylasparagine?
The molecular formula of n2-Acetyl-n-phenylasparagine is C12H14N2O4.
What is the molecular weight of n2-Acetyl-n-phenylasparagine?
The molecular weight of n2-Acetyl-n-phenylasparagine is 250.10 g/mol.
Where can I buy n2-Acetyl-n-phenylasparagine?
You can request a quote for n2-Acetyl-n-phenylasparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n2-Acetyl-n-phenylasparagine?
Yes, KEHONG BIO provides custom synthesis services for n2-Acetyl-n-phenylasparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.