![4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate structure](/static/products/5845/5845-98-7.webp)
4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate
TL;DR: 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate (CAS 5845-98-7) is a chemical compound with molecular formula C23H27N3O7 and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Also Known As: 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate, BIM-0049374.P001, (4-Nitrophenyl)methyl N-[(benzyloxy)carbonyl]valylalaninate, (4-nitrophenyl)methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate, 4-nitrobenzyl 2-(2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)propanoate
| Molecular Formula | C23H27N3O7 |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 3.0937 |
| Topological Polar Surface Area | 136.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.1849 |
| Heavy Atoms | 33 |
| Complexity | 961.78015 |
Chemical Identifiers
| CAS Number | 5845-98-7 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
Product Overview
4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate (CAS 5845-98-7), with molecular formula C23H27N3O7 and molecular weight 457.18 g/mol. IUPAC: (4-nitrophenyl)methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate.
Chemical Property Profile of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate
Property Insights of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate
The XLogP value of 3.0937 indicates that 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate. Following Lipinski's Rule of Five, 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate has 2 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 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate?
The CAS number of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate is 5845-98-7.
What is the molecular formula of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate?
The molecular formula of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate is C23H27N3O7.
What is the molecular weight of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate?
The molecular weight of 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate is 457.18 g/mol.
Where can I buy 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate?
You can request a quote for 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl N-[(benzyloxy)carbonyl]valylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.