![3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide structure](/static/products/4187/418780-59-3.webp)
3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 418780-59-3) is a chemical compound with molecular formula C22H18ClN5O5S3 and molecular weight 563.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-1-benzothiophene-2-carboxamide, 3-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H18ClN5O5S3 |
|---|---|
| Molecular Weight | 563.02 g/mol |
| LogP | 4.2895 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.01587 |
| Heavy Atoms | 36 |
| Complexity | 1536.0986 |
Chemical Identifiers
| CAS Number | 418780-59-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC |
Product Overview
3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 418780-59-3), with molecular formula C22H18ClN5O5S3 and molecular weight 563.02 g/mol. IUPAC: 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
The XLogP value of 4.2895 indicates that 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide has 3 hydrogen bond donor(s) and 9 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-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 418780-59-3.
What is the molecular formula of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is C22H18ClN5O5S3.
What is the molecular weight of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 563.02 g/mol.
Where can I buy 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-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-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.