F3168-2049
TL;DR: F3168-2049 (CAS 688055-48-3) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: F3168-2049, N-(3-methylbutyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide, N-isopentyl-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.61199 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1212.0103 |
Chemical Identifiers
| CAS Number | 688055-48-3 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
F3168-2049 (CAS 688055-48-3), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of F3168-2049
Property Insights of F3168-2049
The XLogP value of 3.61199 indicates that F3168-2049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2049. Following Lipinski's Rule of Five, F3168-2049 has 2 hydrogen bond donor(s) and 5 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 F3168-2049?
The CAS number of F3168-2049 is 688055-48-3.
What is the molecular formula of F3168-2049?
The molecular formula of F3168-2049 is C22H23N3O4S.
What is the molecular weight of F3168-2049?
The molecular weight of F3168-2049 is 425.14 g/mol.
Where can I buy F3168-2049?
You can request a quote for F3168-2049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2049?
Yes, KEHONG BIO provides custom synthesis services for F3168-2049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.