Ala-Ala-Val-Ala p-nitroanilide
TL;DR: Ala-Ala-Val-Ala p-nitroanilide (CAS 102185-27-3) is a chemical compound with molecular formula C20H30N6O6 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide
Also Known As: Ala-Ala-Val-Ala p-nitroanilide, ALA-ALA-VAL-ALA P-NITRO-ANILIDE, Alanylalanylvalyl-N-(4-nitrophenyl)alaninamide, 2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide, 634-403-3
| Molecular Formula | C20H30N6O6 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 0.0307 |
| Topological Polar Surface Area | 185.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.2227 |
| Heavy Atoms | 32 |
| Complexity | 854.6411 |
Chemical Identifiers
| CAS Number | 102185-27-3 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)N |
Product Overview
Ala-Ala-Val-Ala p-nitroanilide (CAS 102185-27-3), with molecular formula C20H30N6O6 and molecular weight 450.22 g/mol. IUPAC: 2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide.
Chemical Property Profile of Ala-Ala-Val-Ala p-nitroanilide
Property Insights of Ala-Ala-Val-Ala p-nitroanilide
The XLogP value of 0.0307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ala-Ala-Val-Ala p-nitroanilide. The TPSA of 185.56 Ų indicates high polarity, suggesting Ala-Ala-Val-Ala p-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ala-Ala-Val-Ala p-nitroanilide has 5 hydrogen bond donor(s) and 7 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 Ala-Ala-Val-Ala p-nitroanilide?
The CAS number of Ala-Ala-Val-Ala p-nitroanilide is 102185-27-3.
What is the molecular formula of Ala-Ala-Val-Ala p-nitroanilide?
The molecular formula of Ala-Ala-Val-Ala p-nitroanilide is C20H30N6O6.
What is the molecular weight of Ala-Ala-Val-Ala p-nitroanilide?
The molecular weight of Ala-Ala-Val-Ala p-nitroanilide is 450.22 g/mol.
Where can I buy Ala-Ala-Val-Ala p-nitroanilide?
You can request a quote for Ala-Ala-Val-Ala p-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ala-Ala-Val-Ala p-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Ala-Ala-Val-Ala p-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.