beta-Methoxy-alpha-phenylcinnamonitrile
TL;DR: beta-Methoxy-alpha-phenylcinnamonitrile (CAS 55271-99-3) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2,3-diphenylprop-2-enenitrile
Also Known As: 3-methoxy-2,3-diphenylprop-2-enenitrile, BETA-METHOXY-ALPHA-PHENYLCINNAMONITRILE, 3-methoxy-2,3-diphenyl-prop-2-enenitrile, alpha,beta-diphenyl-beta-methoxyacrylonitrile
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.72488 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 579.49896 |
Chemical Identifiers
| CAS Number | 55271-99-3 |
|---|---|
| SMILES | COC(=C(C#N)C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
beta-Methoxy-alpha-phenylcinnamonitrile (CAS 55271-99-3), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 3-methoxy-2,3-diphenylprop-2-enenitrile.
Chemical Property Profile of beta-Methoxy-alpha-phenylcinnamonitrile
Property Insights of beta-Methoxy-alpha-phenylcinnamonitrile
The XLogP value of 3.72488 indicates that beta-Methoxy-alpha-phenylcinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, beta-Methoxy-alpha-phenylcinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methoxy-alpha-phenylcinnamonitrile has 0 hydrogen bond donor(s) and 2 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 beta-Methoxy-alpha-phenylcinnamonitrile?
The CAS number of beta-Methoxy-alpha-phenylcinnamonitrile is 55271-99-3.
What is the molecular formula of beta-Methoxy-alpha-phenylcinnamonitrile?
The molecular formula of beta-Methoxy-alpha-phenylcinnamonitrile is C16H13NO.
What is the molecular weight of beta-Methoxy-alpha-phenylcinnamonitrile?
The molecular weight of beta-Methoxy-alpha-phenylcinnamonitrile is 235.10 g/mol.
Where can I buy beta-Methoxy-alpha-phenylcinnamonitrile?
You can request a quote for beta-Methoxy-alpha-phenylcinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methoxy-alpha-phenylcinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for beta-Methoxy-alpha-phenylcinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.