ChemDiv3_012580
TL;DR: ChemDiv3_012580 (CAS 422290-07-1) is a chemical compound with molecular formula C24H19BrN4OS and molecular weight 490.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-methylacetamide
Also Known As: ChemDiv3_012580, BRD-K23406321-001-01-7, F3168-1914, N-benzyl-2-({4-bromo-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-9-yl}sulfanyl)-N-methylacetamide, N-benzyl-2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-methylacetamide
| Molecular Formula | C24H19BrN4OS |
|---|---|
| Molecular Weight | 490.05 g/mol |
| LogP | 5.5489 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.0463 |
| Heavy Atoms | 31 |
| Complexity | 1417.3698 |
Chemical Identifiers
| CAS Number | 422290-07-1 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N42 |
Product Overview
ChemDiv3_012580 (CAS 422290-07-1), with molecular formula C24H19BrN4OS and molecular weight 490.05 g/mol. IUPAC: N-benzyl-2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-methylacetamide.
Chemical Property Profile of ChemDiv3_012580
Property Insights of ChemDiv3_012580
The XLogP value of 5.5489 indicates that ChemDiv3_012580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, ChemDiv3_012580 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_012580 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_012580?
The CAS number of ChemDiv3_012580 is 422290-07-1.
What is the molecular formula of ChemDiv3_012580?
The molecular formula of ChemDiv3_012580 is C24H19BrN4OS.
What is the molecular weight of ChemDiv3_012580?
The molecular weight of ChemDiv3_012580 is 490.05 g/mol.
Where can I buy ChemDiv3_012580?
You can request a quote for ChemDiv3_012580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012580?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.