![N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester structure](/static/products/956/956198-19-9.png)
N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester
TL;DR: N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester (CAS 956198-19-9) is a chemical compound with molecular formula C17H14Cl2N4O5S2 and molecular weight 487.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dichloroanilino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
Also Known As: N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester, 2-(3,5-Dichloroanilino)-2-oxoethyl N-(2,1,3-benzothiadiazole-4-sulfonyl)-L-alaninate, [2-(3,5-dichloroanilino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
| Molecular Formula | C17H14Cl2N4O5S2 |
|---|---|
| Molecular Weight | 487.98 g/mol |
| LogP | 2.8468 |
| Topological Polar Surface Area | 127.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.97827 |
| Heavy Atoms | 30 |
| Complexity | 1195.5839 |
Chemical Identifiers
| CAS Number | 956198-19-9 |
|---|---|
| SMILES | C[C@@H](C(=O)OCC(=O)NC1=CC(=CC(=C1)Cl)Cl)NS(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester (CAS 956198-19-9), with molecular formula C17H14Cl2N4O5S2 and molecular weight 487.98 g/mol. IUPAC: [2-(3,5-dichloroanilino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate.
Chemical Property Profile of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester
Property Insights of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester
The XLogP value of 2.8468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester. The TPSA of 127.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester. Following Lipinski's Rule of Five, N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester 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
Frequently Asked Questions
What is the CAS number of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester?
The CAS number of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester is 956198-19-9.
What is the molecular formula of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester?
The molecular formula of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester is C17H14Cl2N4O5S2.
What is the molecular weight of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester?
The molecular weight of N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester is 487.98 g/mol.
Where can I buy N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester?
You can request a quote for N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-L-alanine 2-[(3,5-dichlorophenyl)amino]-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.