2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine (CAS 40403-76-7) is a chemical compound with molecular formula C5H9ClN2 and molecular weight 132.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,4,5,6-tetrahydropyrimidine
Also Known As: 2-(chloromethyl)-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C5H9ClN2 |
|---|---|
| Molecular Weight | 132.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.04543 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 40403-76-7 |
|---|---|
| SMILES | C1CNC(=NC1)CCl |
| InChIKey | MATQOBLZWGLAFD-UHFFFAOYSA-N |
Product Overview
2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine (CAS 40403-76-7), with molecular formula C5H9ClN2 and molecular weight 132.05 g/mol. IUPAC: 2-(chloromethyl)-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 24.4 Ų, 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine has 1 hydrogen bond donor(s) and 1 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-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine is 40403-76-7.
What is the molecular formula of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine is C5H9ClN2.
What is the molecular weight of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine is 132.05 g/mol.
Where can I buy 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.