ChemDiv1_007022
TL;DR: ChemDiv1_007022 (CAS 420833-01-8) is a chemical compound with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Also Known As: ChemDiv1_007022, AN-919/15232053, N-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, N-(1,3-BENZOTHIAZOL-2-YL)-4-(3-BROMOPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE, N-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
| Molecular Formula | C24H20BrN3O2S |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 5.6654 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.04596 |
| Heavy Atoms | 31 |
| Complexity | 1257.7262 |
Chemical Identifiers
| CAS Number | 420833-01-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_007022 (CAS 420833-01-8), with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_007022
Property Insights of ChemDiv1_007022
The XLogP value of 5.6654 indicates that ChemDiv1_007022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007022. Following Lipinski's Rule of Five, ChemDiv1_007022 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007022?
The CAS number of ChemDiv1_007022 is 420833-01-8.
What is the molecular formula of ChemDiv1_007022?
The molecular formula of ChemDiv1_007022 is C24H20BrN3O2S.
What is the molecular weight of ChemDiv1_007022?
The molecular weight of ChemDiv1_007022 is 493.05 g/mol.
Where can I buy ChemDiv1_007022?
You can request a quote for ChemDiv1_007022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007022?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.