ChemDiv1_013483
TL;DR: ChemDiv1_013483 (CAS 422288-40-2) is a chemical compound with molecular formula C24H25BrN4O2S and molecular weight 512.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
Also Known As: ChemDiv1_013483, F0921-6767, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide, 6-(6-bromo-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
| Molecular Formula | C24H25BrN4O2S |
|---|---|
| Molecular Weight | 512.09 g/mol |
| LogP | 5.22219 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.08813 |
| Heavy Atoms | 32 |
| Complexity | 1371.9403 |
Chemical Identifiers
| CAS Number | 422288-40-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013483 (CAS 422288-40-2), with molecular formula C24H25BrN4O2S and molecular weight 512.09 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
Chemical Property Profile of ChemDiv1_013483
Property Insights of ChemDiv1_013483
The XLogP value of 5.22219 indicates that ChemDiv1_013483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013483. Following Lipinski's Rule of Five, ChemDiv1_013483 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013483?
The CAS number of ChemDiv1_013483 is 422288-40-2.
What is the molecular formula of ChemDiv1_013483?
The molecular formula of ChemDiv1_013483 is C24H25BrN4O2S.
What is the molecular weight of ChemDiv1_013483?
The molecular weight of ChemDiv1_013483 is 512.09 g/mol.
Where can I buy ChemDiv1_013483?
You can request a quote for ChemDiv1_013483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013483?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.