2-Morpholin-4-yl-2-phenylpropanedinitrile
TL;DR: 2-Morpholin-4-yl-2-phenylpropanedinitrile (CAS 64906-30-5) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-yl-2-phenylpropanedinitrile
Also Known As: 2-morpholin-4-yl-2-phenylpropanedinitrile, morpholin-4-yl-phenyl-malononitrile, (Morpholin-4-yl)(phenyl)propanedinitrile, Propanedinitrile, 2-(4-morpholinyl)-2-phenyl-, RefChem:264028
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 64906-30-5 |
|---|---|
| SMILES | C1COCCN1C(C#N)(C#N)C2=CC=CC=C2 |
| InChIKey | NAFFADVIUUBWLF-UHFFFAOYSA-N |
Product Overview
2-Morpholin-4-yl-2-phenylpropanedinitrile (CAS 64906-30-5), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 2-morpholin-4-yl-2-phenylpropanedinitrile.
Chemical Property Profile of 2-Morpholin-4-yl-2-phenylpropanedinitrile
Property Insights of 2-Morpholin-4-yl-2-phenylpropanedinitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Morpholin-4-yl-2-phenylpropanedinitrile. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Morpholin-4-yl-2-phenylpropanedinitrile. Following Lipinski's Rule of Five, 2-Morpholin-4-yl-2-phenylpropanedinitrile 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-Morpholin-4-yl-2-phenylpropanedinitrile?
The CAS number of 2-Morpholin-4-yl-2-phenylpropanedinitrile is 64906-30-5.
What is the molecular formula of 2-Morpholin-4-yl-2-phenylpropanedinitrile?
The molecular formula of 2-Morpholin-4-yl-2-phenylpropanedinitrile is C13H13N3O.
What is the molecular weight of 2-Morpholin-4-yl-2-phenylpropanedinitrile?
The molecular weight of 2-Morpholin-4-yl-2-phenylpropanedinitrile is 227.11 g/mol.
Where can I buy 2-Morpholin-4-yl-2-phenylpropanedinitrile?
You can request a quote for 2-Morpholin-4-yl-2-phenylpropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Morpholin-4-yl-2-phenylpropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Morpholin-4-yl-2-phenylpropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.