5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol
TL;DR: 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol (CAS 341968-29-4) is a chemical compound with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-(phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol, 5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one, 5-(benzenesulfonyl)-2-(prop-2-yn-1-ylsulfanyl)pyrimidin-4-ol, 5-(benzenesulfonyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-pyrimidin-4-one
| Molecular Formula | C13H10N2O3S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 1.328 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.01328 |
| Heavy Atoms | 20 |
| Complexity | 805.5002 |
Chemical Identifiers
| CAS Number | 341968-29-4 |
|---|---|
| SMILES | C#CCSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol (CAS 341968-29-4), with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol. IUPAC: 5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol
Property Insights of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol
The XLogP value of 1.328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol. The TPSA of 79.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol. Following Lipinski's Rule of Five, 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-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 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol?
The CAS number of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol is 341968-29-4.
What is the molecular formula of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol?
The molecular formula of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol is C13H10N2O3S2.
What is the molecular weight of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol?
The molecular weight of 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol is 306.01 g/mol.
Where can I buy 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol?
You can request a quote for 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylsulfonyl)-2-(2-propynylsulfanyl)-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.