N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine
TL;DR: N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine (CAS 1004935-14-1) is a chemical compound with molecular formula C11H12N4O5 and molecular weight 280.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]butanoic acid
Also Known As: N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine, (2S)-3-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]butanoic acid, (S)-3-methyl-2-((4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)butanoic acid
Technical Specifications
| Molecular Formula | C11H12N4O5 |
| Molecular Weight | 280.08078 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08078 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC1=C(C2=NON=C2C=C1)[N+](=O)[O-] |
| InChIKey | TVVSDBQXDYCWSO-QMMMGPOBSA-N |
Chemical Property Profile of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine
Property Insights of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine. Following Lipinski's Rule of Five, N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine?
The CAS number of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine is 1004935-14-1.
What is the molecular formula of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine?
The molecular formula of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine is C11H12N4O5.
What is the molecular weight of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine?
The molecular weight of N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine is 280.08078 g/mol.
Where can I buy N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine?
You can request a quote for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine?
Yes, CoreyChem provides custom synthesis services for N-(4-nitro-2,1,3-benzoxadiazol-5-yl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.