2-(pentylsulfanyl)-4(3H)-pyrimidinone
TL;DR: 2-(pentylsulfanyl)-4(3H)-pyrimidinone (CAS 439141-87-4) is a chemical compound with molecular formula C9H14N2OS and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(pentylsulfanyl)-4(3H)-pyrimidinone, 2-pentylsulfanyl-1H-pyrimidin-6-one, 2-pentylthio-3-hydropyrimidin-4-one, 2-(pentylsulfanyl)-3,4-dihydropyrimidin-4-one, AS-871/15339119
| Molecular Formula | C9H14N2OS |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.0522 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.08269 |
| Heavy Atoms | 13 |
| Complexity | 297.66623 |
Chemical Identifiers
| CAS Number | 439141-87-4 |
|---|---|
| SMILES | CCCCCSC1=NC=CC(=O)N1 |
Product Overview
2-(pentylsulfanyl)-4(3H)-pyrimidinone (CAS 439141-87-4), with molecular formula C9H14N2OS and molecular weight 198.08 g/mol. IUPAC: 2-pentylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(pentylsulfanyl)-4(3H)-pyrimidinone
Property Insights of 2-(pentylsulfanyl)-4(3H)-pyrimidinone
The XLogP value of 2.0522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(pentylsulfanyl)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(pentylsulfanyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(pentylsulfanyl)-4(3H)-pyrimidinone has 1 hydrogen bond donor(s) and 3 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)-4(3H)-pyrimidinone?
The CAS number of 2-(pentylsulfanyl)-4(3H)-pyrimidinone is 439141-87-4.
What is the molecular formula of 2-(pentylsulfanyl)-4(3H)-pyrimidinone?
The molecular formula of 2-(pentylsulfanyl)-4(3H)-pyrimidinone is C9H14N2OS.
What is the molecular weight of 2-(pentylsulfanyl)-4(3H)-pyrimidinone?
The molecular weight of 2-(pentylsulfanyl)-4(3H)-pyrimidinone is 198.08 g/mol.
Where can I buy 2-(pentylsulfanyl)-4(3H)-pyrimidinone?
You can request a quote for 2-(pentylsulfanyl)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(pentylsulfanyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(pentylsulfanyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.