3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 688337-95-3) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one, 3-Benzo[1,3]dioxol-5-ylmethyl-6,7-dimethoxy-2-thioxo-2,3-dihydro-1H-quinazolin-4-one, 3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-6,7-dimethoxy-2-thioxo-1,3-dihydroq uinazolin-4-one, 3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-6,7-DIMETHOXY-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.85329 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 1118.9901 |
Chemical Identifiers
| CAS Number | 688337-95-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OC |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 688337-95-3), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.85329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 1 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 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 688337-95-3.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C18H16N2O5S.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 372.08 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.