2-(Pentylsulfanyl)pyrimidine-4,6-diol
TL;DR: 2-(Pentylsulfanyl)pyrimidine-4,6-diol (CAS 489403-70-5) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-pentylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(pentylsulfanyl)pyrimidine-4,6-diol, GPR84 agonist-1, starbld0046478, 2-(pentylthio)pyrimidine-4,6-diol, 4-hydroxy-2-pentylsulfanyl-1H-pyrimidin-6-one
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 489403-70-5 |
|---|---|
| SMILES | CCCCCSC1=NC(=CC(=O)N1)O |
| InChIKey | PZFSMTJJBIHJDT-UHFFFAOYSA-N |
Product Overview
2-(Pentylsulfanyl)pyrimidine-4,6-diol (CAS 489403-70-5), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 4-hydroxy-2-pentylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Pentylsulfanyl)pyrimidine-4,6-diol
Property Insights of 2-(Pentylsulfanyl)pyrimidine-4,6-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pentylsulfanyl)pyrimidine-4,6-diol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Pentylsulfanyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-(Pentylsulfanyl)pyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 4 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-(Pentylsulfanyl)pyrimidine-4,6-diol?
The CAS number of 2-(Pentylsulfanyl)pyrimidine-4,6-diol is 489403-70-5.
What is the molecular formula of 2-(Pentylsulfanyl)pyrimidine-4,6-diol?
The molecular formula of 2-(Pentylsulfanyl)pyrimidine-4,6-diol is C9H14N2O2S.
What is the molecular weight of 2-(Pentylsulfanyl)pyrimidine-4,6-diol?
The molecular weight of 2-(Pentylsulfanyl)pyrimidine-4,6-diol is 214.08 g/mol.
Where can I buy 2-(Pentylsulfanyl)pyrimidine-4,6-diol?
You can request a quote for 2-(Pentylsulfanyl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pentylsulfanyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pentylsulfanyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.