ChemDiv1_013939
TL;DR: ChemDiv1_013939 (CAS 451467-54-2) is a chemical compound with molecular formula C25H20BrN3O4S and molecular weight 537.04 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-N-(furan-2-ylmethyl)-4-oxo-3-prop-2-enylquinazoline-7-carboxamide
Also Known As: ChemDiv1_013939, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide, F0916-6468, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-prop-2-enylquinazoline-7-carboxamide, 3-allyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
| Molecular Formula | C25H20BrN3O4S |
|---|---|
| Molecular Weight | 537.04 g/mol |
| LogP | 4.843 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.03577 |
| Heavy Atoms | 34 |
| Complexity | 1412.8774 |
Chemical Identifiers
| CAS Number | 451467-54-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_013939 (CAS 451467-54-2), with molecular formula C25H20BrN3O4S and molecular weight 537.04 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-prop-2-enylquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013939
Property Insights of ChemDiv1_013939
The XLogP value of 4.843 indicates that ChemDiv1_013939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013939. Following Lipinski's Rule of Five, ChemDiv1_013939 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_013939?
The CAS number of ChemDiv1_013939 is 451467-54-2.
What is the molecular formula of ChemDiv1_013939?
The molecular formula of ChemDiv1_013939 is C25H20BrN3O4S.
What is the molecular weight of ChemDiv1_013939?
The molecular weight of ChemDiv1_013939 is 537.04 g/mol.
Where can I buy ChemDiv1_013939?
You can request a quote for ChemDiv1_013939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013939?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.