Acetylalanine 4-nitroanilide
TL;DR: Acetylalanine 4-nitroanilide (CAS 30866-60-5) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-N-(4-nitrophenyl)propanamide
Also Known As: Acala-pna, Acetylalanine 4-nitroanilide, AANA, (S)-2-Acetamido-N-(4-nitrophenyl)propanamide, Acetyl-L-alanine 4-nitroanilide
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 30866-60-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C |
| InChIKey | ABYZSYDGJGVCHS-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylalanine 4-nitroanilide (CAS 30866-60-5), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: (2S)-2-acetamido-N-(4-nitrophenyl)propanamide.
Chemical Property Profile of Acetylalanine 4-nitroanilide
Property Insights of Acetylalanine 4-nitroanilide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylalanine 4-nitroanilide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylalanine 4-nitroanilide. Following Lipinski's Rule of Five, Acetylalanine 4-nitroanilide 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 Acetylalanine 4-nitroanilide?
The CAS number of Acetylalanine 4-nitroanilide is 30866-60-5.
What is the molecular formula of Acetylalanine 4-nitroanilide?
The molecular formula of Acetylalanine 4-nitroanilide is C11H13N3O4.
What is the molecular weight of Acetylalanine 4-nitroanilide?
The molecular weight of Acetylalanine 4-nitroanilide is 251.09 g/mol.
Where can I buy Acetylalanine 4-nitroanilide?
You can request a quote for Acetylalanine 4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylalanine 4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Acetylalanine 4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.