VU0079860-2
TL;DR: VU0079860-2 (CAS 688055-82-5) is a chemical compound with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0079860-2, F3168-2078, N-[2-(1H-indol-3-yl)ethyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-[2-(1H-indol-3-yl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide, N-(2-(1H-indol-3-yl)ethyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide
| Molecular Formula | C27H22N4O4S |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 4.28989 |
| Topological Polar Surface Area | 101.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.13617 |
| Heavy Atoms | 36 |
| Complexity | 1733.6354 |
Chemical Identifiers
| CAS Number | 688055-82-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCCC5=CNC6=CC=CC=C65 |
Product Overview
VU0079860-2 (CAS 688055-82-5), with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0079860-2
Property Insights of VU0079860-2
The XLogP value of 4.28989 indicates that VU0079860-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.14 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0079860-2. Following Lipinski's Rule of Five, VU0079860-2 has 3 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 VU0079860-2?
The CAS number of VU0079860-2 is 688055-82-5.
What is the molecular formula of VU0079860-2?
The molecular formula of VU0079860-2 is C27H22N4O4S.
What is the molecular weight of VU0079860-2?
The molecular weight of VU0079860-2 is 498.14 g/mol.
Where can I buy VU0079860-2?
You can request a quote for VU0079860-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079860-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079860-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.