2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine
TL;DR: 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine (CAS 124105-89-1) is a chemical compound with molecular formula C25H26N2O2 and molecular weight 386.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane
Also Known As: 2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane, 2-(1,3-benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine, A2149/0090279, 2-(2H-1,3-BENZODIOXOL-5-YL)-1,3-DIBENZYL-1,3-DIAZINANE
| Molecular Formula | C25H26N2O2 |
|---|---|
| Molecular Weight | 386.20 g/mol |
| LogP | 4.822 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.19943 |
| Heavy Atoms | 29 |
| Complexity | 896.0519 |
Chemical Identifiers
| CAS Number | 124105-89-1 |
|---|---|
| SMILES | C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine (CAS 124105-89-1), with molecular formula C25H26N2O2 and molecular weight 386.20 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine
Property Insights of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine
The XLogP value of 4.822 indicates that 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine 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 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine is 124105-89-1.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine is C25H26N2O2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine is 386.20 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.