N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine
TL;DR: N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine (CAS 1004894-87-4) is a chemical compound with molecular formula C15H12N4O4S and molecular weight 344.06 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]-3-phenylpropanoic acid
Also Known As: N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine, (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]-3-phenylpropanoic acid, (S)-2-((4-nitrobenzo[c][1,2,5]thiadiazol-5-yl)amino)-3-phenylpropanoic acid
| Molecular Formula | C15H12N4O4S |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 2.7073 |
| Topological Polar Surface Area | 118.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.05792 |
| Heavy Atoms | 24 |
| Complexity | 896.88525 |
Chemical Identifiers
| CAS Number | 1004894-87-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=C(C3=NSN=C3C=C2)[N+](=O)[O-] |
Product Overview
N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine (CAS 1004894-87-4), with molecular formula C15H12N4O4S and molecular weight 344.06 g/mol. IUPAC: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine
Property Insights of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine
The XLogP value of 2.7073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine. 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-phenylalanine. Following Lipinski's Rule of Five, N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine 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-phenylalanine?
The CAS number of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine is 1004894-87-4.
What is the molecular formula of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine?
The molecular formula of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine is C15H12N4O4S.
What is the molecular weight of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine?
The molecular weight of N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine is 344.06 g/mol.
Where can I buy N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine?
You can request a quote for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine 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-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitro-2,1,3-benzothiadiazol-5-yl)-L-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.