VU0208072-3
TL;DR: VU0208072-3 (CAS 688055-52-9) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0208072-3, N-(2,2-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-(2,2-dimethoxyethyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 2.18479 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 1230.8241 |
Chemical Identifiers
| CAS Number | 688055-52-9 |
|---|---|
| SMILES | COC(CNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)OC |
Product Overview
VU0208072-3 (CAS 688055-52-9), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0208072-3
Property Insights of VU0208072-3
The XLogP value of 2.18479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0208072-3. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0208072-3. Following Lipinski's Rule of Five, VU0208072-3 has 2 hydrogen bond donor(s) and 7 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 VU0208072-3?
The CAS number of VU0208072-3 is 688055-52-9.
What is the molecular formula of VU0208072-3?
The molecular formula of VU0208072-3 is C21H21N3O6S.
What is the molecular weight of VU0208072-3?
The molecular weight of VU0208072-3 is 443.12 g/mol.
Where can I buy VU0208072-3?
You can request a quote for VU0208072-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0208072-3?
Yes, KEHONG BIO provides custom synthesis services for VU0208072-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.