ChemDiv1_013705
TL;DR: ChemDiv1_013705 (CAS 422288-74-2) is a chemical compound with molecular formula C27H24BrN3O4S and molecular weight 565.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013705, 4-({6-bromo-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide, F3168-1893, 4-[(6-bromo-4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide, 4-((6-bromo-4-oxo-2-((2-oxo-2-phenylethyl)thio)quinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide
| Molecular Formula | C27H24BrN3O4S |
|---|---|
| Molecular Weight | 565.07 g/mol |
| LogP | 4.5585 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 565.0671 |
| Heavy Atoms | 36 |
| Complexity | 1439.6252 |
Chemical Identifiers
| CAS Number | 422288-74-2 |
|---|---|
| SMILES | COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_013705 (CAS 422288-74-2), with molecular formula C27H24BrN3O4S and molecular weight 565.07 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013705
Property Insights of ChemDiv1_013705
The XLogP value of 4.5585 indicates that ChemDiv1_013705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013705. Following Lipinski's Rule of Five, ChemDiv1_013705 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013705?
The CAS number of ChemDiv1_013705 is 422288-74-2.
What is the molecular formula of ChemDiv1_013705?
The molecular formula of ChemDiv1_013705 is C27H24BrN3O4S.
What is the molecular weight of ChemDiv1_013705?
The molecular weight of ChemDiv1_013705 is 565.07 g/mol.
Where can I buy ChemDiv1_013705?
You can request a quote for ChemDiv1_013705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.