5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 63204-39-7) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylmethoxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(Benzyloxy)-2-thiouracil, 5-(benzyloxy)-2-mercaptopyrimidin-4-ol, 5-phenylmethoxy-2-sulfanylidene-1H-pyrimidin-4-one, 2-Mercapto-4-hydroxy-5-(benzyloxy)pyrimidine, 5-(Benzyloxy)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.01149 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 574.28357 |
Chemical Identifiers
| CAS Number | 63204-39-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CNC(=S)NC2=O |
Product Overview
5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 63204-39-7), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 5-phenylmethoxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.01149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 57.88 Ų, 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 3 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 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 63204-39-7.
What is the molecular formula of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is C11H10N2O2S.
What is the molecular weight of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 234.05 g/mol.
Where can I buy 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(Benzyloxy)-2-sulfanylidene-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 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzyloxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.