4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
TL;DR: 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde (CAS 445040-60-8) is a chemical compound with molecular formula C11H14ClN3OS and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbaldehyde
Also Known As: ASISCHEM C51987, 4-chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde, AO-861/37413005, J3.059.013I, 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbaldehyde
| Molecular Formula | C11H14ClN3OS |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.6547 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0546 |
| Heavy Atoms | 17 |
| Complexity | 421.42273 |
Chemical Identifiers
| CAS Number | 445040-60-8 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C=O)N2CCCCC2 |
Product Overview
4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde (CAS 445040-60-8), with molecular formula C11H14ClN3OS and molecular weight 271.05 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbaldehyde.
Chemical Property Profile of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
Property Insights of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
The XLogP value of 2.6547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde. With a topological polar surface area (TPSA) of 46.09 Ų, 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde has 0 hydrogen bond donor(s) and 5 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-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde?
The CAS number of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde is 445040-60-8.
What is the molecular formula of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde?
The molecular formula of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde is C11H14ClN3OS.
What is the molecular weight of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde?
The molecular weight of 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde is 271.05 g/mol.
Where can I buy 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde?
You can request a quote for 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.