L-valine p-nitrobenzyl ester
TL;DR: L-valine p-nitrobenzyl ester (CAS 46925-27-3) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (2S)-2-amino-3-methylbutanoate
Also Known As: L-valine p-nitrobenzyl ester, (4-nitrophenyl)methyl (2S)-2-amino-3-methyl-butanoate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.6213 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 428.20847 |
Chemical Identifiers
| CAS Number | 46925-27-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
L-valine p-nitrobenzyl ester (CAS 46925-27-3), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: (4-nitrophenyl)methyl (2S)-2-amino-3-methylbutanoate.
Chemical Property Profile of L-valine p-nitrobenzyl ester
Property Insights of L-valine p-nitrobenzyl ester
The XLogP value of 1.6213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-valine p-nitrobenzyl ester. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for L-valine p-nitrobenzyl ester. Following Lipinski's Rule of Five, L-valine p-nitrobenzyl ester has 1 hydrogen bond donor(s) and 5 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 L-valine p-nitrobenzyl ester?
The CAS number of L-valine p-nitrobenzyl ester is 46925-27-3.
What is the molecular formula of L-valine p-nitrobenzyl ester?
The molecular formula of L-valine p-nitrobenzyl ester is C12H16N2O4.
What is the molecular weight of L-valine p-nitrobenzyl ester?
The molecular weight of L-valine p-nitrobenzyl ester is 252.11 g/mol.
Where can I buy L-valine p-nitrobenzyl ester?
You can request a quote for L-valine p-nitrobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-valine p-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-valine p-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.