2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol
TL;DR: 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol (CAS 341968-28-3) is a chemical compound with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-2-benzylsulfanyl-1H-pyrimidin-6-one
Also Known As: Bionet1_003264, 2-(benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol, 5-(benzenesulfonyl)-2-(benzylsulfanyl)pyrimidin-4-ol, 5-(benzenesulfonyl)-2-benzylsulfanyl-1H-pyrimidin-6-one, 10N-562S
| Molecular Formula | C17H14N2O3S2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 2.895 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0446 |
| Heavy Atoms | 24 |
| Complexity | 985.10406 |
Chemical Identifiers
| CAS Number | 341968-28-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol (CAS 341968-28-3), with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol. IUPAC: 5-(benzenesulfonyl)-2-benzylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol
Property Insights of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol
The XLogP value of 2.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol. The TPSA of 79.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol has 1 hydrogen bond donor(s) and 5 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 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol?
The CAS number of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol is 341968-28-3.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol?
The molecular formula of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol is C17H14N2O3S2.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol?
The molecular weight of 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol is 358.04 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol?
You can request a quote for 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.