ChemDiv1_013659
TL;DR: ChemDiv1_013659 (CAS 422288-47-9) is a chemical compound with molecular formula C26H29BrN4O3S and molecular weight 556.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013659, F3168-1878, 3-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-bromo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-(6-(4-(4-acetylphenyl)piperazin-1-yl)-6-oxohexyl)-6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C26H29BrN4O3S |
|---|---|
| Molecular Weight | 556.11 g/mol |
| LogP | 4.93339 |
| Topological Polar Surface Area | 78.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.1144 |
| Heavy Atoms | 35 |
| Complexity | 1341.4445 |
Chemical Identifiers
| CAS Number | 422288-47-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013659 (CAS 422288-47-9), with molecular formula C26H29BrN4O3S and molecular weight 556.11 g/mol. IUPAC: 3-[6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013659
Property Insights of ChemDiv1_013659
The XLogP value of 4.93339 indicates that ChemDiv1_013659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013659. Following Lipinski's Rule of Five, ChemDiv1_013659 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_013659?
The CAS number of ChemDiv1_013659 is 422288-47-9.
What is the molecular formula of ChemDiv1_013659?
The molecular formula of ChemDiv1_013659 is C26H29BrN4O3S.
What is the molecular weight of ChemDiv1_013659?
The molecular weight of ChemDiv1_013659 is 556.11 g/mol.
Where can I buy ChemDiv1_013659?
You can request a quote for ChemDiv1_013659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013659?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.