![2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone structure](/static/products/353/353260-24-9.png)
2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone
TL;DR: 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone (CAS 353260-24-9) is a chemical compound with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone, 2-[(3,4-dichlorophenyl)methylthio]pyrimidin-4-ol, AI-204/31716054, 2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
| Molecular Formula | C11H8Cl2N2OS |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 3.369 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.97345 |
| Heavy Atoms | 17 |
| Complexity | 585.67926 |
Chemical Identifiers
| CAS Number | 353260-24-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NC=CC(=O)N2)Cl)Cl |
Product Overview
2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone (CAS 353260-24-9), with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone
Property Insights of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone
The XLogP value of 3.369 indicates that 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-dichlorobenzyl)sulfanyl]-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-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone?
The CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone is 353260-24-9.
What is the molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone?
The molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone is C11H8Cl2N2OS.
What is the molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone?
The molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone is 285.97 g/mol.
Where can I buy 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone?
You can request a quote for 2-[(3,4-dichlorobenzyl)sulfanyl]-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-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dichlorobenzyl)sulfanyl]-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.