ChemDiv1_005027
TL;DR: ChemDiv1_005027 (CAS 361480-53-7) is a chemical compound with molecular formula C23H20N4O5S3 and molecular weight 528.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
Also Known As: ChemDiv1_005027, F0473-0237, N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(6-sulfamoylbenzo[d]thiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C23H20N4O5S3 |
|---|---|
| Molecular Weight | 528.06 g/mol |
| LogP | 2.943 |
| Topological Polar Surface Area | 139.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.0596 |
| Heavy Atoms | 35 |
| Complexity | 1663.0624 |
Chemical Identifiers
| CAS Number | 361480-53-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)N |
Product Overview
ChemDiv1_005027 (CAS 361480-53-7), with molecular formula C23H20N4O5S3 and molecular weight 528.06 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of ChemDiv1_005027
Property Insights of ChemDiv1_005027
The XLogP value of 2.943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005027. The TPSA of 139.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005027. Following Lipinski's Rule of Five, ChemDiv1_005027 has 2 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 ChemDiv1_005027?
The CAS number of ChemDiv1_005027 is 361480-53-7.
What is the molecular formula of ChemDiv1_005027?
The molecular formula of ChemDiv1_005027 is C23H20N4O5S3.
What is the molecular weight of ChemDiv1_005027?
The molecular weight of ChemDiv1_005027 is 528.06 g/mol.
Where can I buy ChemDiv1_005027?
You can request a quote for ChemDiv1_005027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005027?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.