![3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide structure](/static/products/4187/418786-26-2.webp)
3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 418786-26-2) is a chemical compound with molecular formula C22H18ClN5O3S3 and molecular weight 531.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide, 4-[({[(3-CHLORO-1-BENZOTHIOPHEN-2-YL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-N~1~-(4,6-DIMETHYL-2-PYRIMIDINYL)-1-BENZENESULFONAMIDE
| Molecular Formula | C22H18ClN5O3S3 |
|---|---|
| Molecular Weight | 531.03 g/mol |
| LogP | 4.88914 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.026 |
| Heavy Atoms | 34 |
| Complexity | 1498.5824 |
Chemical Identifiers
| CAS Number | 418786-26-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C |
Product Overview
3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 418786-26-2), with molecular formula C22H18ClN5O3S3 and molecular weight 531.03 g/mol. IUPAC: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
The XLogP value of 4.88914 indicates that 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 418786-26-2.
What is the molecular formula of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is C22H18ClN5O3S3.
What is the molecular weight of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 531.03 g/mol.
Where can I buy 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.