![N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide structure](/static/products/530/530153-10-7.png)
N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide
TL;DR: N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide (CAS 530153-10-7) is a chemical compound with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide
Also Known As: N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide, N-[2-[1-[(4-chlorophenyl)carbamoyl]propylsulfanyl]benzothiazol-6-yl]-4-methyl-benzamide, N-[2-({1-[(4-chlorophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide, N-[2-({1-[(4-chlorophenyl)carbamoyl]propyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide, N-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide
| Molecular Formula | C25H22ClN3O2S2 |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 7.01982 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.0842 |
| Heavy Atoms | 33 |
| Complexity | 1287.5133 |
Chemical Identifiers
| CAS Number | 530153-10-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C |
Product Overview
N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide (CAS 530153-10-7), with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol. IUPAC: N-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide.
Chemical Property Profile of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide
Property Insights of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide
The XLogP value of 7.01982 indicates that N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide?
The CAS number of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide is 530153-10-7.
What is the molecular formula of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide?
The molecular formula of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide is C25H22ClN3O2S2.
What is the molecular weight of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide?
The molecular weight of N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide is 495.08 g/mol.
Where can I buy N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide?
You can request a quote for N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide 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-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((1-((4-chlorophenyl)amino)-1-oxobutan-2-yl)thio)benzo[d]thiazol-6-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.