(4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
TL;DR: (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile (CAS 373619-40-0) is a chemical compound with molecular formula C23H27NO and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dibenzyl-2,2-dimethyloxan-4-yl)acetonitrile
Also Known As: 2-(4,5-dibenzyl-2,2-dimethyloxan-4-yl)acetonitrile, (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile, 2-(4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
| Molecular Formula | C23H27NO |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 5.18698 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.20926 |
| Heavy Atoms | 25 |
| Complexity | 716.76294 |
Chemical Identifiers
| CAS Number | 373619-40-0 |
|---|---|
| SMILES | CC1(CC(C(CO1)CC2=CC=CC=C2)(CC#N)CC3=CC=CC=C3)C |
Product Overview
(4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile (CAS 373619-40-0), with molecular formula C23H27NO and molecular weight 333.21 g/mol. IUPAC: 2-(4,5-dibenzyl-2,2-dimethyloxan-4-yl)acetonitrile.
Chemical Property Profile of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
Property Insights of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
The XLogP value of 5.18698 indicates that (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The CAS number of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is 373619-40-0.
What is the molecular formula of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The molecular formula of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is C23H27NO.
What is the molecular weight of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The molecular weight of (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is 333.21 g/mol.
Where can I buy (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
You can request a quote for (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4,5-dibenzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.