ChemDiv1_005115
TL;DR: ChemDiv1_005115 (CAS 361480-55-9) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
Also Known As: ChemDiv1_005115, F0473-0240, N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 4.0212 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1209.7075 |
Chemical Identifiers
| CAS Number | 361480-55-9 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
ChemDiv1_005115 (CAS 361480-55-9), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of ChemDiv1_005115
Property Insights of ChemDiv1_005115
The XLogP value of 4.0212 indicates that ChemDiv1_005115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005115. Following Lipinski's Rule of Five, ChemDiv1_005115 has 1 hydrogen bond donor(s) and 5 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_005115?
The CAS number of ChemDiv1_005115 is 361480-55-9.
What is the molecular formula of ChemDiv1_005115?
The molecular formula of ChemDiv1_005115 is C23H23N3O3S2.
What is the molecular weight of ChemDiv1_005115?
The molecular weight of ChemDiv1_005115 is 453.12 g/mol.
Where can I buy ChemDiv1_005115?
You can request a quote for ChemDiv1_005115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005115?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.