N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
TL;DR: N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide (CAS 852046-23-2) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
Also Known As: F0643-0436, AT-057/43348298, N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide, N-(3-chloro-4-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide, N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 852046-23-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CCN2C3=CC=CC=C3SC2=O)Cl |
| InChIKey | OGXPSBFPNILIFP-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide (CAS 852046-23-2), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
Chemical Property Profile of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
Property Insights of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
The XLogP value of 3.7 indicates that N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide has 1 hydrogen bond donor(s) and 3 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-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide?
The CAS number of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide is 852046-23-2.
What is the molecular formula of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide?
The molecular formula of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide is C17H15ClN2O2S.
What is the molecular weight of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide?
The molecular weight of N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide is 346.05 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide?
You can request a quote for N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-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-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methylphenyl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.