6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 21585-18-2) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-o, 6-Benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.55809 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 631.42975 |
Chemical Identifiers
| CAS Number | 21585-18-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C(=O)NC(=S)N2)CCO |
Product Overview
6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 21585-18-2), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.55809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one has 3 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 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 21585-18-2.
What is the molecular formula of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C13H14N2O2S.
What is the molecular weight of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 262.08 g/mol.
Where can I buy 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-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-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.