F0916-4499
TL;DR: F0916-4499 (CAS 422277-96-1) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: F0916-4499, 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-oxoethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 2.13219 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1260.3359 |
Chemical Identifiers
| CAS Number | 422277-96-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=S |
Product Overview
F0916-4499 (CAS 422277-96-1), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of F0916-4499
Property Insights of F0916-4499
The XLogP value of 2.13219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0916-4499. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0916-4499. Following Lipinski's Rule of Five, F0916-4499 has 1 hydrogen bond donor(s) and 6 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 F0916-4499?
The CAS number of F0916-4499 is 422277-96-1.
What is the molecular formula of F0916-4499?
The molecular formula of F0916-4499 is C22H22N4O4S.
What is the molecular weight of F0916-4499?
The molecular weight of F0916-4499 is 438.14 g/mol.
Where can I buy F0916-4499?
You can request a quote for F0916-4499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0916-4499?
Yes, KEHONG BIO provides custom synthesis services for F0916-4499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.