ChemDiv1_013397
TL;DR: ChemDiv1_013397 (CAS 422288-49-1) is a chemical compound with molecular formula C23H25BrN4O4S and molecular weight 532.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013397, F0919-6667, 6-bromo-3-{6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-(6-(4-(furan-2-carbonyl)piperazin-1-yl)-6-oxohexyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C23H25BrN4O4S |
|---|---|
| Molecular Weight | 532.08 g/mol |
| LogP | 3.95959 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.078 |
| Heavy Atoms | 33 |
| Complexity | 1259.6923 |
Chemical Identifiers
| CAS Number | 422288-49-1 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C(=O)C4=CC=CO4 |
Product Overview
ChemDiv1_013397 (CAS 422288-49-1), with molecular formula C23H25BrN4O4S and molecular weight 532.08 g/mol. IUPAC: 6-bromo-3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013397
Property Insights of ChemDiv1_013397
The XLogP value of 3.95959 indicates that ChemDiv1_013397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013397. Following Lipinski's Rule of Five, ChemDiv1_013397 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_013397?
The CAS number of ChemDiv1_013397 is 422288-49-1.
What is the molecular formula of ChemDiv1_013397?
The molecular formula of ChemDiv1_013397 is C23H25BrN4O4S.
What is the molecular weight of ChemDiv1_013397?
The molecular weight of ChemDiv1_013397 is 532.08 g/mol.
Where can I buy ChemDiv1_013397?
You can request a quote for ChemDiv1_013397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013397?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.