ChemDiv1_013615
TL;DR: ChemDiv1_013615 (CAS 422288-44-6) is a chemical compound with molecular formula C25H29BrN4O3S and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013615, F3168-1875, 6-bromo-3-{6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-(6-(4-(4-methoxyphenyl)piperazin-1-yl)-6-oxohexyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C25H29BrN4O3S |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 4.73939 |
| Topological Polar Surface Area | 70.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.1144 |
| Heavy Atoms | 34 |
| Complexity | 1263.8762 |
Chemical Identifiers
| CAS Number | 422288-44-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013615 (CAS 422288-44-6), with molecular formula C25H29BrN4O3S and molecular weight 544.11 g/mol. IUPAC: 6-bromo-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013615
Property Insights of ChemDiv1_013615
The XLogP value of 4.73939 indicates that ChemDiv1_013615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013615. Following Lipinski's Rule of Five, ChemDiv1_013615 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013615?
The CAS number of ChemDiv1_013615 is 422288-44-6.
What is the molecular formula of ChemDiv1_013615?
The molecular formula of ChemDiv1_013615 is C25H29BrN4O3S.
What is the molecular weight of ChemDiv1_013615?
The molecular weight of ChemDiv1_013615 is 544.11 g/mol.
Where can I buy ChemDiv1_013615?
You can request a quote for ChemDiv1_013615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013615?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.