ChemDiv1_013857
TL;DR: ChemDiv1_013857 (CAS 403729-62-4) is a chemical compound with molecular formula C27H22BrN3O4S and molecular weight 563.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[4-(morpholine-4-carbonyl)phenyl]quinazolin-4-one
Also Known As: ChemDiv1_013857, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one, F0912-3624, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[4-(morpholine-4-carbonyl)phenyl]quinazolin-4-one, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(4-(morpholine-4-carbonyl)phenyl)quinazolin-4(3H)-one
| Molecular Formula | C27H22BrN3O4S |
|---|---|
| Molecular Weight | 563.05 g/mol |
| LogP | 4.5956 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.05145 |
| Heavy Atoms | 36 |
| Complexity | 1480.1735 |
Chemical Identifiers
| CAS Number | 403729-62-4 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_013857 (CAS 403729-62-4), with molecular formula C27H22BrN3O4S and molecular weight 563.05 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[4-(morpholine-4-carbonyl)phenyl]quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013857
Property Insights of ChemDiv1_013857
The XLogP value of 4.5956 indicates that ChemDiv1_013857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013857. Following Lipinski's Rule of Five, ChemDiv1_013857 has 0 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_013857?
The CAS number of ChemDiv1_013857 is 403729-62-4.
What is the molecular formula of ChemDiv1_013857?
The molecular formula of ChemDiv1_013857 is C27H22BrN3O4S.
What is the molecular weight of ChemDiv1_013857?
The molecular weight of ChemDiv1_013857 is 563.05 g/mol.
Where can I buy ChemDiv1_013857?
You can request a quote for ChemDiv1_013857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013857?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.