![4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate structure](/static/products/1008/1008956-13-5.webp)
4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate
TL;DR: 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate (CAS 1008956-13-5) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate
Also Known As: 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate, 4-nitrobenzyl 3-methyl-2-(4-methylcyclohexanecarboxamido)butanoate, (4-nitrophenyl)methyl 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate
| Molecular Formula | C20H28N2O5 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 3.6051 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.19983 |
| Heavy Atoms | 27 |
| Complexity | 663.4546 |
Chemical Identifiers
| CAS Number | 1008956-13-5 |
|---|---|
| SMILES | CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate (CAS 1008956-13-5), with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol. IUPAC: (4-nitrophenyl)methyl 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate.
Chemical Property Profile of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate
Property Insights of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate
The XLogP value of 3.6051 indicates that 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate. Following Lipinski's Rule of Five, 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate 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 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate?
The CAS number of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate is 1008956-13-5.
What is the molecular formula of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate?
The molecular formula of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate is C20H28N2O5.
What is the molecular weight of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate?
The molecular weight of 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate is 376.20 g/mol.
Where can I buy 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate?
You can request a quote for 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate 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-[(4-methylcyclohexyl)carbonyl]valinate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl N-[(4-methylcyclohexyl)carbonyl]valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.