4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-
TL;DR: 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- (CAS 64399-77-5) 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.
3-hydroxy-2-morpholin-4-yl-3-phenylpropanenitrile
Also Known As: 3-hydroxy-2-morpholin-4-yl-3-phenylpropanenitrile, 4-MORPHOLINEACETONITRILE,A-(HYDROXYPHENYLMETHYL)-, 3-HYDROXY-2-(MORPHOLIN-4-YL)-3-PHENYLPROPANENITRILE
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 64399-77-5 |
|---|---|
| SMILES | C1COCCN1C(C#N)C(C2=CC=CC=C2)O |
| InChIKey | BMXPCXSCPJLJGD-UHFFFAOYSA-N |
Product Overview
4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- (CAS 64399-77-5), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 3-hydroxy-2-morpholin-4-yl-3-phenylpropanenitrile.
Chemical Property Profile of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-
Property Insights of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-. With a topological polar surface area (TPSA) of 56.5 Ų, 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- has 1 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 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-?
The CAS number of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- is 64399-77-5.
What is the molecular formula of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-?
The molecular formula of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- is C13H16N2O2.
What is the molecular weight of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-?
The molecular weight of 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- is 232.12 g/mol.
Where can I buy 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-?
You can request a quote for 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholineacetonitrile,A-(hydroxyphenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.