(4-Nitrophenyl)methyl L-leucinate
TL;DR: (4-Nitrophenyl)methyl L-leucinate (CAS 21691-57-6) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (2S)-2-amino-4-methylpentanoate
Also Known As: L-Leucine 4-nitrobenzyl ester, (4-Nitrophenyl)methyl L-leucinate, L-Leucine, (4-nitrophenyl)methyl ester, J1.058.862F, (4-nitrophenyl)methyl (2S)-2-amino-4-methylpentanoate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.0114 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 442.46136 |
Chemical Identifiers
| CAS Number | 21691-57-6 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
(4-Nitrophenyl)methyl L-leucinate (CAS 21691-57-6), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: (4-nitrophenyl)methyl (2S)-2-amino-4-methylpentanoate.
Chemical Property Profile of (4-Nitrophenyl)methyl L-leucinate
Property Insights of (4-Nitrophenyl)methyl L-leucinate
The XLogP value of 2.0114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)methyl L-leucinate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl L-leucinate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl L-leucinate 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-Nitrophenyl)methyl L-leucinate?
The CAS number of (4-Nitrophenyl)methyl L-leucinate is 21691-57-6.
What is the molecular formula of (4-Nitrophenyl)methyl L-leucinate?
The molecular formula of (4-Nitrophenyl)methyl L-leucinate is C13H18N2O4.
What is the molecular weight of (4-Nitrophenyl)methyl L-leucinate?
The molecular weight of (4-Nitrophenyl)methyl L-leucinate is 266.13 g/mol.
Where can I buy (4-Nitrophenyl)methyl L-leucinate?
You can request a quote for (4-Nitrophenyl)methyl L-leucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl L-leucinate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl L-leucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.