VU0079850-2
TL;DR: VU0079850-2 (CAS 688055-78-9) is a chemical compound with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-chlorophenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0079850-2, F3168-2074, N-(2-chlorophenethyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-[2-(2-chlorophenyl)ethyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-[2-(2-chlorophenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C25H20ClN3O4S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 4.46199 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.0863 |
| Heavy Atoms | 34 |
| Complexity | 1511.8677 |
Chemical Identifiers
| CAS Number | 688055-78-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5Cl |
Product Overview
VU0079850-2 (CAS 688055-78-9), with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol. IUPAC: N-[2-(2-chlorophenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0079850-2
Property Insights of VU0079850-2
The XLogP value of 4.46199 indicates that VU0079850-2 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 VU0079850-2. Following Lipinski's Rule of Five, VU0079850-2 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 VU0079850-2?
The CAS number of VU0079850-2 is 688055-78-9.
What is the molecular formula of VU0079850-2?
The molecular formula of VU0079850-2 is C25H20ClN3O4S.
What is the molecular weight of VU0079850-2?
The molecular weight of VU0079850-2 is 493.09 g/mol.
Where can I buy VU0079850-2?
You can request a quote for VU0079850-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079850-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079850-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.