3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689228-90-8) 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.
3-cyclopropyl-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv3_012364, 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, BRD-K33616538-001-01-8, 3-cyclopropyl-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one, 3-Cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.41119 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 758.798 |
Chemical Identifiers
| CAS Number | 689228-90-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CC3)OC |
Product Overview
3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 689228-90-8), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 3-cyclopropyl-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.41119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 56.25 Ų, 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-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 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 689228-90-8.
What is the molecular formula of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C13H14N2O3S.
What is the molecular weight of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 278.07 g/mol.
Where can I buy 3-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-cyclopropyl-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-cyclopropyl-6,7-dimethoxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-cyclopropyl-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.