N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-80-4) is a chemical compound with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: F2749-0198, N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(5-chloro-2-methylphenyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C17H15ClN2O4S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 2.82172 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0441 |
| Heavy Atoms | 25 |
| Complexity | 972.36316 |
Chemical Identifiers
| CAS Number | 899954-80-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-80-4), with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.82172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 hydrogen bond donor(s) and 4 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-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899954-80-4.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C17H15ClN2O4S.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 378.04 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.