3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol
TL;DR: 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol (CAS 99677-77-7) is a chemical compound with molecular formula C9H16N2O5S and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-2-thione
Also Known As: 3-(D-Ribosyl)-4-hydroxyhexahydropyrimidine-2-thione, Tetrahydro-6-hydroxy-1-D-ribofuranosyl-2(1H)-pyrimidinethione, 2(1H)-Pyrimidinethione, tetrahydro-6-hydroxy-1-D-ribofuranosyl-, 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol, 3-D-Ribofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol
| Molecular Formula | C9H16N2O5S |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | -2.676 |
| Topological Polar Surface Area | 105.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.078 |
| Heavy Atoms | 17 |
| Complexity | 305.1108 |
Chemical Identifiers
| CAS Number | 99677-77-7 |
|---|---|
| SMILES | C1CNC(=S)N(C1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O |
Product Overview
3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol (CAS 99677-77-7), with molecular formula C9H16N2O5S and molecular weight 264.08 g/mol. IUPAC: 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-2-thione.
Chemical Property Profile of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol
Property Insights of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol
The XLogP value of -2.676 indicates that 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol. Following Lipinski's Rule of Five, 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol has 5 hydrogen bond donor(s) and 6 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 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol?
The CAS number of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol is 99677-77-7.
What is the molecular formula of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol?
The molecular formula of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol is C9H16N2O5S.
What is the molecular weight of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol?
The molecular weight of 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol is 264.08 g/mol.
Where can I buy 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol?
You can request a quote for 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentofuranosyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.