ChemDiv3_012622
TL;DR: ChemDiv3_012622 (CAS 422287-54-5) is a chemical compound with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide
Also Known As: ChemDiv3_012622, VU0512561-1, BRD-K97332660-001-01-5, F3168-1818, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide
| Molecular Formula | C21H16BrN3O3S |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 4.39289 |
| Topological Polar Surface Area | 80.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.00958 |
| Heavy Atoms | 29 |
| Complexity | 1291.7482 |
Chemical Identifiers
| CAS Number | 422287-54-5 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv3_012622 (CAS 422287-54-5), with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide.
Chemical Property Profile of ChemDiv3_012622
Property Insights of ChemDiv3_012622
The XLogP value of 4.39289 indicates that ChemDiv3_012622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012622. Following Lipinski's Rule of Five, ChemDiv3_012622 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_012622?
The CAS number of ChemDiv3_012622 is 422287-54-5.
What is the molecular formula of ChemDiv3_012622?
The molecular formula of ChemDiv3_012622 is C21H16BrN3O3S.
What is the molecular weight of ChemDiv3_012622?
The molecular weight of ChemDiv3_012622 is 469.01 g/mol.
Where can I buy ChemDiv3_012622?
You can request a quote for ChemDiv3_012622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012622?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.