VU0146461-2
TL;DR: VU0146461-2 (CAS 688055-84-7) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
Also Known As: VU0146461-2, F3168-2080, 4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[(pyridin-2-yl)methyl]benzamide, 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)-N-(pyridin-2-ylmethyl)benzamide, 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.16109 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1429.0931 |
Chemical Identifiers
| CAS Number | 688055-84-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5 |
Product Overview
VU0146461-2 (CAS 688055-84-7), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.
Chemical Property Profile of VU0146461-2
Property Insights of VU0146461-2
The XLogP value of 3.16109 indicates that VU0146461-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0146461-2. Following Lipinski's Rule of Five, VU0146461-2 has 2 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 VU0146461-2?
The CAS number of VU0146461-2 is 688055-84-7.
What is the molecular formula of VU0146461-2?
The molecular formula of VU0146461-2 is C23H18N4O4S.
What is the molecular weight of VU0146461-2?
The molecular weight of VU0146461-2 is 446.10 g/mol.
Where can I buy VU0146461-2?
You can request a quote for VU0146461-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0146461-2?
Yes, KEHONG BIO provides custom synthesis services for VU0146461-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.