ChemDiv1_013387
TL;DR: ChemDiv1_013387 (CAS 422287-29-4) is a chemical compound with molecular formula C24H20BrN3O3S and molecular weight 509.04 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-[(4-methoxyphenyl)methyl]benzamide
Also Known As: ChemDiv1_013387, F3168-1797, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide, 4-((6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(4-methoxybenzyl)benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
| Molecular Formula | C24H20BrN3O3S |
|---|---|
| Molecular Weight | 509.04 g/mol |
| LogP | 4.80849 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.0409 |
| Heavy Atoms | 32 |
| Complexity | 1393.6835 |
Chemical Identifiers
| CAS Number | 422287-29-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013387 (CAS 422287-29-4), with molecular formula C24H20BrN3O3S and molecular weight 509.04 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide.
Chemical Property Profile of ChemDiv1_013387
Property Insights of ChemDiv1_013387
The XLogP value of 4.80849 indicates that ChemDiv1_013387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013387. Following Lipinski's Rule of Five, ChemDiv1_013387 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013387?
The CAS number of ChemDiv1_013387 is 422287-29-4.
What is the molecular formula of ChemDiv1_013387?
The molecular formula of ChemDiv1_013387 is C24H20BrN3O3S.
What is the molecular weight of ChemDiv1_013387?
The molecular weight of ChemDiv1_013387 is 509.04 g/mol.
Where can I buy ChemDiv1_013387?
You can request a quote for ChemDiv1_013387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013387?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.