6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 355430-66-9) is a chemical compound with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: starbld0014739, 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-(benzo[d][1,3]dioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, F1967-3725
| Molecular Formula | C11H8N2O3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 1.82819 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02556 |
| Heavy Atoms | 17 |
| Complexity | 661.35126 |
Chemical Identifiers
| CAS Number | 355430-66-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=O)NC(=S)N3 |
Product Overview
6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 355430-66-9), with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.82819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 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-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 355430-66-9.
What is the molecular formula of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C11H8N2O3S.
What is the molecular weight of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 248.03 g/mol.
Where can I buy 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-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 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-benzodioxol-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.