4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
TL;DR: 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde (CAS 33097-11-9) is a chemical compound with molecular formula C6H4Cl2N2OS and molecular weight 221.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde
Also Known As: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde, null, 4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde, Ticagrelor Impurity 123, 4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde
| Molecular Formula | C6H4Cl2N2OS |
|---|---|
| Molecular Weight | 221.94 g/mol |
| LogP | 2.3178 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.94214 |
| Heavy Atoms | 12 |
| Complexity | 295.41156 |
Chemical Identifiers
| CAS Number | 33097-11-9 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C=O)Cl |
Product Overview
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde (CAS 33097-11-9), with molecular formula C6H4Cl2N2OS and molecular weight 221.94 g/mol. IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde.
Chemical Property Profile of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
Property Insights of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
The XLogP value of 2.3178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde. With a topological polar surface area (TPSA) of 42.85 Ų, 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde has 0 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 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde?
The CAS number of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde is 33097-11-9.
What is the molecular formula of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde?
The molecular formula of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde is C6H4Cl2N2OS.
What is the molecular weight of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde?
The molecular weight of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde is 221.94 g/mol.
Where can I buy 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde?
You can request a quote for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.