ChemDiv1_005071
TL;DR: ChemDiv1_005071 (CAS 441289-75-4) is a chemical compound with molecular formula C23H18N4O5S2 and molecular weight 494.07 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-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: ChemDiv1_005071, F0473-0238, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(6-nitrobenzo[d]thiazol-2-yl)benzamide, N-(6-nitro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C23H18N4O5S2 |
|---|---|
| Molecular Weight | 494.07 g/mol |
| LogP | 4.2038 |
| Topological Polar Surface Area | 122.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.07187 |
| Heavy Atoms | 34 |
| Complexity | 1530.764 |
Chemical Identifiers
| CAS Number | 441289-75-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_005071 (CAS 441289-75-4), with molecular formula C23H18N4O5S2 and molecular weight 494.07 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of ChemDiv1_005071
Property Insights of ChemDiv1_005071
The XLogP value of 4.2038 indicates that ChemDiv1_005071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005071. Following Lipinski's Rule of Five, ChemDiv1_005071 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005071?
The CAS number of ChemDiv1_005071 is 441289-75-4.
What is the molecular formula of ChemDiv1_005071?
The molecular formula of ChemDiv1_005071 is C23H18N4O5S2.
What is the molecular weight of ChemDiv1_005071?
The molecular weight of ChemDiv1_005071 is 494.07 g/mol.
Where can I buy ChemDiv1_005071?
You can request a quote for ChemDiv1_005071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005071?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.