1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol
TL;DR: 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol (CAS 39819-61-9) is a chemical compound with molecular formula C12H20N2O7S and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)pyrimidine-2,4-dione
Also Known As: 1-c-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol, 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)pyrimidine-2,, 1-S-Ethyl-1-C-(4-hydroxy-2-oxopyrimidin-1(2H)-yl)-1-thiohexitol, 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)pyrimidine-2,4-dione
| Molecular Formula | C12H20N2O7S |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.09912 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 39819-61-9 |
|---|---|
| SMILES | CCSC(C(C(C(C(CO)O)O)O)O)N1C=CC(=O)NC1=O |
| InChIKey | QPOXHHYPLHWCPH-UHFFFAOYSA-N |
Product Overview
1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol (CAS 39819-61-9), with molecular formula C12H20N2O7S and molecular weight 336.10 g/mol. IUPAC: 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)pyrimidine-2,4-dione.
Chemical Property Profile of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol
Property Insights of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol
The XLogP value of -2.8 indicates that 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol?
The CAS number of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol is 39819-61-9.
What is the molecular formula of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol?
The molecular formula of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol is C12H20N2O7S.
What is the molecular weight of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol?
The molecular weight of 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol is 336.10 g/mol.
Where can I buy 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol?
You can request a quote for 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol?
Yes, KEHONG BIO provides custom synthesis services for 1-c-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.