2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine (CAS 33236-00-9) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Also Known As: 3,4,5,6-Tetrahydro-2-(alpha-butoxybenzyl)pyrimidine, 2-[butoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidine, 2-(alpha-Butoxybenzyl)-3,4,5,6-tetrahydropyrimidine, Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-butoxybenzyl)-, 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 33236-00-9 |
|---|---|
| SMILES | CCCCOC(C1=CC=CC=C1)C2=NCCCN2 |
| InChIKey | GXFOCBPQGIBWNY-UHFFFAOYSA-N |
Product Overview
2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine (CAS 33236-00-9), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: 2-[butoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 33.6 Ų, 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine has 1 hydrogen bond donor(s) and 2 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-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine is 33236-00-9.
What is the molecular formula of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine is C15H22N2O.
What is the molecular weight of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine is 246.17 g/mol.
Where can I buy 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-(Butoxyphenylmethyl)-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-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.