N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine
TL;DR: N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine (CAS 1212370-22-3) is a chemical compound with molecular formula C11H13N3O5S and molecular weight 299.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methylbutanoic acid
Also Known As: N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine, (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methylbutanoic acid, (S)-2-(benzo[c][1,2,5]oxadiazole-4-sulfonamido)-3-methylbutanoic acid, (2S)-3-methyl-2-(8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-ylsulfonylamino)butanoic Acid
Technical Specifications
| Molecular Formula | C11H13N3O5S |
| Molecular Weight | 299.0576 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0576 Da |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=NON=C21 |
| InChIKey | RBMOOHNRKUILGP-VIFPVBQESA-N |
Chemical Property Profile of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine
Property Insights of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine. Following Lipinski's Rule of Five, N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-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-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine?
The CAS number of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine is 1212370-22-3.
What is the molecular formula of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine?
The molecular formula of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine is C11H13N3O5S.
What is the molecular weight of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine?
The molecular weight of N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine is 299.0576 g/mol.
Where can I buy N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine?
You can request a quote for N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine?
Yes, CoreyChem provides custom synthesis services for N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.