2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride
TL;DR: 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride (CAS 22126-56-3) is a chemical compound with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,4,5,6-tetrahydropyrimidine;hydrochloride
Also Known As: 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride, Pyrimidine, 2-benzyl-1,4,5,6-tetrahydro-, hydrochloride, 2-benzyl-1,4,5,6-tetrahydropyrimidine,hydrochloride, 2-Benzyl-1,4,5,6-tetrahydropyrimidine--hydrogen chloride (1/1), Pyrimidine, 1,4,5,6-tetrahydro-2-(phenylmethyl)-, monohydrochloride
| Molecular Formula | C11H15ClN2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.0427 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.09238 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 22126-56-3 |
|---|---|
| SMILES | C1CNC(=NC1)CC2=CC=CC=C2.Cl |
| InChIKey | AZRZNCFOVWHVOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride (CAS 22126-56-3), with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol. IUPAC: 2-benzyl-1,4,5,6-tetrahydropyrimidine;hydrochloride.
Chemical Property Profile of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride
Property Insights of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride
The XLogP value of 2.0427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride. With a topological polar surface area (TPSA) of 24.4 Ų, 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride has 2 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-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride?
The CAS number of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride is 22126-56-3.
What is the molecular formula of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride?
The molecular formula of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride is C11H15ClN2.
What is the molecular weight of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride?
The molecular weight of 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride is 210.09 g/mol.
Where can I buy 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride?
You can request a quote for 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-1,4,5,6-tetrahydropyrimidine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.