N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-76-8) is a chemical compound with molecular formula C16H12ClFN2O4S and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: F2749-0184, N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(3-chloro-4-fluorophenyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C16H12ClFN2O4S |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 2.6524 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.01904 |
| Heavy Atoms | 25 |
| Complexity | 977.85004 |
Chemical Identifiers
| CAS Number | 899954-76-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-76-8), with molecular formula C16H12ClFN2O4S and molecular weight 382.02 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.6524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899954-76-8.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C16H12ClFN2O4S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 382.02 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-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.