6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
TL;DR: 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione (CAS 59640-57-2) is a chemical compound with molecular formula C8H12N2O4S and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
Also Known As: 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione, 6-{[(2,3-Dihydroxypropyl)sulfanyl]methyl}pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C8H12N2O4S |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.05177 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 59640-57-2 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)CSCC(CO)O |
| InChIKey | ANDLLBPXLIJWJE-UHFFFAOYSA-N |
Product Overview
6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione (CAS 59640-57-2), with molecular formula C8H12N2O4S and molecular weight 232.05 g/mol. IUPAC: 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
Property Insights of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
The XLogP value of -1.8 indicates that 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione has 4 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 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The CAS number of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione is 59640-57-2.
What is the molecular formula of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione is C8H12N2O4S.
What is the molecular weight of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione is 232.05 g/mol.
Where can I buy 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.