Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-
TL;DR: Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- (CAS 27280-72-4) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-2-methoxyphenyl)-2-phenylprop-2-enenitrile
Also Known As: 4'-Amino-2'-methoxy-alpha-stilbenecarbonitrile, 3-(4-amino-2-methoxyphenyl)-2-phenylacrylonitrile, Benzeneacetonitrile, .alpha.-[(4-amino-2-methoxyphenyl)methylene]-, Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-, RefChem:324338
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 27280-72-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N)C=C(C#N)C2=CC=CC=C2 |
| InChIKey | BSVPQIAORBMDMB-UHFFFAOYSA-N |
Product Overview
Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- (CAS 27280-72-4), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 3-(4-amino-2-methoxyphenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-
Property Insights of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-
The XLogP value of 3.0 indicates that Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- has 1 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 Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-?
The CAS number of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- is 27280-72-4.
What is the molecular formula of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-?
The molecular formula of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- is C16H14N2O.
What is the molecular weight of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-?
The molecular weight of Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- is 250.11 g/mol.
Where can I buy Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-?
You can request a quote for Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-((4-amino-2-methoxyphenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.