![3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide structure](/static/products/6429/642983-85-5.webp)
3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 642983-85-5) is a chemical compound with molecular formula C21H17ClN4O5S3 and molecular weight 536.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-6-methoxy-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide, 3-chloro-6-methoxy-N-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C21H17ClN4O5S3 |
|---|---|
| Molecular Weight | 536.00 g/mol |
| LogP | 4.78732 |
| Topological Polar Surface Area | 122.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.00494 |
| Heavy Atoms | 34 |
| Complexity | 1496.634 |
Chemical Identifiers
| CAS Number | 642983-85-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl |
Product Overview
3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 642983-85-5), with molecular formula C21H17ClN4O5S3 and molecular weight 536.00 g/mol. IUPAC: 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
The XLogP value of 4.78732 indicates that 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide has 3 hydrogen bond donor(s) and 8 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-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 642983-85-5.
What is the molecular formula of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is C21H17ClN4O5S3.
What is the molecular weight of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide is 536.00 g/mol.
Where can I buy 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-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-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.