2-(4-Chlorophenyl)-2-morpholinoacetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-morpholinoacetonitrile (CAS 33599-26-7) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
Also Known As: 2-(4-chlorophenyl)-2-morpholinoacetonitrile, Maybridge1_001061, 2-(4-chlorophenyl)-2-(morpholin-4-yl)acetonitrile, 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile, 2- -2-MORPHOLINOACETONITRILE
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 33599-26-7 |
|---|---|
| SMILES | C1COCCN1C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | YBUDMLBUDBGODD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-2-morpholinoacetonitrile (CAS 33599-26-7), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-morpholinoacetonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 2-(4-Chlorophenyl)-2-morpholinoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-morpholinoacetonitrile 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 2-(4-Chlorophenyl)-2-morpholinoacetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile is 33599-26-7.
What is the molecular formula of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile is C12H13ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-morpholinoacetonitrile is 236.07 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-morpholinoacetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-2-morpholinoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-morpholinoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-morpholinoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.