Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide
TL;DR: Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide (CAS 61043-35-4) is a chemical compound with molecular formula C29H31N5O7 and molecular weight 561.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: Z-Ala-ala-phe-pna, Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide, Benzyloxycarbonyl-alanyl-alanyl-phenylalanine-4-nitroanilide, benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate, L-Phenylalaninamide, N-((phenylmethoxy)carbonyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-
| Molecular Formula | C29H31N5O7 |
|---|---|
| Molecular Weight | 561.22 g/mol |
| LogP | 3.0804 |
| Topological Polar Surface Area | 168.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 561.22235 |
| Heavy Atoms | 41 |
| Complexity | 1350.9879 |
Chemical Identifiers
| CAS Number | 61043-35-4 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide (CAS 61043-35-4), with molecular formula C29H31N5O7 and molecular weight 561.22 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide
Property Insights of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide
The XLogP value of 3.0804 indicates that Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.77 Ų indicates high polarity, suggesting Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide?
The CAS number of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide is 61043-35-4.
What is the molecular formula of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide?
The molecular formula of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide is C29H31N5O7.
What is the molecular weight of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide?
The molecular weight of Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide is 561.22 g/mol.
Where can I buy Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide?
You can request a quote for Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylalanyl-alanyl-phenylalanine-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.