6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one
TL;DR: 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one (CAS 688056-06-6) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Allyl-6,7-dimethoxy-2-thioxo-2,3-dihydro-1H-quinazolin-4-one, 3-allyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6,7-dimethoxy-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one, 6,7-dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one, 6,7-dimethoxy-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.26229 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 745.86237 |
Chemical Identifiers
| CAS Number | 688056-06-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC=C)OC |
Product Overview
6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one (CAS 688056-06-6), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 6,7-dimethoxy-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one
Property Insights of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one
The XLogP value of 2.26229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one. With a topological polar surface area (TPSA) of 56.25 Ų, 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one has 1 hydrogen bond donor(s) and 4 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 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The CAS number of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one is 688056-06-6.
What is the molecular formula of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The molecular formula of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one is C13H14N2O3S.
What is the molecular weight of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The molecular weight of 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one is 278.07 g/mol.
Where can I buy 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one?
You can request a quote for 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-3-prop-2-enyl-2-thioxo-1,3-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.