N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine
TL;DR: N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine (CAS 1004935-13-0) is a chemical compound with molecular formula C12H14N4O5 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoic acid
Also Known As: N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine, (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoic acid, (S)-4-methyl-2-((4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)pentanoic acid
| Molecular Formula | C12H14N4O5 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.0422 |
| Topological Polar Surface Area | 131.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0964 |
| Heavy Atoms | 21 |
| Complexity | 681.33765 |
Chemical Identifiers
| CAS Number | 1004935-13-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC1=C(C2=NON=C2C=C1)[N+](=O)[O-] |
Product Overview
N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine (CAS 1004935-13-0), with molecular formula C12H14N4O5 and molecular weight 294.10 g/mol. IUPAC: (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoic acid.
Chemical Property Profile of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine
Property Insights of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine
The XLogP value of 2.0422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine. The TPSA of 131.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine. Following Lipinski's Rule of Five, N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine 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 N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine?
The CAS number of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine is 1004935-13-0.
What is the molecular formula of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine?
The molecular formula of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine is C12H14N4O5.
What is the molecular weight of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine?
The molecular weight of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine is 294.10 g/mol.
Where can I buy N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine?
You can request a quote for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-leucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.