alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile
TL;DR: alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile (CAS 55474-41-4) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-(2-ethyl-1,3-dioxolan-2-yl)acetonitrile
Also Known As: Pyrimethamine Impurity 3, starbld0030047, EINECS 259-657-9, Pyrimethamine EP Impurity D, alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile
| Molecular Formula | C13H14ClNO2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 3.10028 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0713 |
| Heavy Atoms | 17 |
| Complexity | 418.04077 |
Chemical Identifiers
| CAS Number | 55474-41-4 |
|---|---|
| SMILES | CCC1(OCCO1)C(C#N)C2=CC=C(C=C2)Cl |
Product Overview
alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile (CAS 55474-41-4), with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol. IUPAC: 2-(4-chlorophenyl)-2-(2-ethyl-1,3-dioxolan-2-yl)acetonitrile.
Chemical Property Profile of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile
Property Insights of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile
The XLogP value of 3.10028 indicates that alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile has 0 hydrogen bond donor(s) and 3 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 alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile?
The CAS number of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is 55474-41-4.
What is the molecular formula of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile?
The molecular formula of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is C13H14ClNO2.
What is the molecular weight of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile?
The molecular weight of alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is 251.07 g/mol.
Where can I buy alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile?
You can request a quote for alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.