N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine
TL;DR: N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine (CAS 1004917-38-7) is a chemical compound with molecular formula C9H8N4O4S and molecular weight 268.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid
Also Known As: N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine, (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid, (S)-2-((4-nitrobenzo[c][1,2,5]thiadiazol-5-yl)amino)propanoic acid, (2S)-2-[(2-nitro-8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-3-yl)amino]propanoic Acid
Technical Specifications
| Molecular Formula | C9H8N4O4S |
| Molecular Weight | 268.0266 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0266 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | C[C@@H](C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-] |
| InChIKey | XXIHRXYVCWDWGJ-BYPYZUCNSA-N |
Chemical Property Profile of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine
Property Insights of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine 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-benzothiadiazol-5-yl)-L-alanine?
The CAS number of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine is 1004917-38-7.
What is the molecular formula of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine?
The molecular formula of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine is C9H8N4O4S.
What is the molecular weight of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine?
The molecular weight of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine is 268.0266 g/mol.
Where can I buy N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine?
You can request a quote for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine 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-benzothiadiazol-5-yl)-L-alanine?
Yes, CoreyChem provides custom synthesis services for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.