2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile
TL;DR: 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile (CAS 123567-57-7) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile
Also Known As: 2-(3-methoxyphenyl)-2-(morpholin-4-yl)acetonitrile, 2-(3-methoxyphenyl)-2-morpholinoacetonitrile, 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile, Morpholino(3-methoxyphenyl)acetonitrile, (3-Methoxyphenyl)(4-morpholinyl)acetonitrile
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.59208 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 408.12564 |
Chemical Identifiers
| CAS Number | 123567-57-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(C#N)N2CCOCC2 |
Product Overview
2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile (CAS 123567-57-7), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile
Property Insights of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile
The XLogP value of 1.59208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 45.49 Ų, 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile 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-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile?
The CAS number of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile is 123567-57-7.
What is the molecular formula of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile?
The molecular formula of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile is C13H16N2O2.
What is the molecular weight of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile?
The molecular weight of 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile is 232.12 g/mol.
Where can I buy 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile?
You can request a quote for 2-(3-Methoxyphenyl)-2-(morpholin-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 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.