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 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C9H8N4O4S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 1.4845 |
| Topological Polar Surface Area | 118.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0266 |
| Heavy Atoms | 18 |
| Complexity | 626.0552 |
Chemical Identifiers
| CAS Number | 1004917-38-7 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-] |
Product Overview
N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine (CAS 1004917-38-7), with molecular formula C9H8N4O4S and molecular weight 268.03 g/mol. IUPAC: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid.
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 1.4845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine. The TPSA of 118.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine. Following Lipinski's Rule of Five, N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-alanine 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-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 268.03 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 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-benzothiadiazol-5-yl)-L-alanine?
Yes, KEHONG BIO 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.