VU0079757-2
TL;DR: VU0079757-2 (CAS 896704-61-3) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
Also Known As: VU0079757-2, N-[(3-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide, N-[(3-methoxyphenyl)methyl]-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide, 4-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-m-anisyl-butyramide, N-(3-methoxybenzyl)-4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.89299 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 1217.4679 |
Chemical Identifiers
| CAS Number | 896704-61-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
VU0079757-2 (CAS 896704-61-3), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: N-[(3-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide.
Chemical Property Profile of VU0079757-2
Property Insights of VU0079757-2
The XLogP value of 2.89299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0079757-2. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0079757-2. Following Lipinski's Rule of Five, VU0079757-2 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 VU0079757-2?
The CAS number of VU0079757-2 is 896704-61-3.
What is the molecular formula of VU0079757-2?
The molecular formula of VU0079757-2 is C21H21N3O5S.
What is the molecular weight of VU0079757-2?
The molecular weight of VU0079757-2 is 427.12 g/mol.
Where can I buy VU0079757-2?
You can request a quote for VU0079757-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079757-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079757-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.