2,3-Bis(4-methoxyphenyl)propanenitrile
TL;DR: 2,3-Bis(4-methoxyphenyl)propanenitrile (CAS 72035-46-2) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-methoxyphenyl)propanenitrile
Also Known As: 2,3-bis(4-methoxyphenyl)propanenitrile, 2,3-Bis-(4-methoxy-phenyl)-propionitrile, NSC 247874NSC 295764, 4-Methoxy-, A-(4-methoxyphenyl)benzenepropanenitrile
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 72035-46-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)OC |
| InChIKey | WXTLYNYQEYBSHU-UHFFFAOYSA-N |
Product Overview
2,3-Bis(4-methoxyphenyl)propanenitrile (CAS 72035-46-2), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 2,3-bis(4-methoxyphenyl)propanenitrile.
Chemical Property Profile of 2,3-Bis(4-methoxyphenyl)propanenitrile
Property Insights of 2,3-Bis(4-methoxyphenyl)propanenitrile
The XLogP value of 3.5 indicates that 2,3-Bis(4-methoxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 2,3-Bis(4-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(4-methoxyphenyl)propanenitrile has 0 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 2,3-Bis(4-methoxyphenyl)propanenitrile?
The CAS number of 2,3-Bis(4-methoxyphenyl)propanenitrile is 72035-46-2.
What is the molecular formula of 2,3-Bis(4-methoxyphenyl)propanenitrile?
The molecular formula of 2,3-Bis(4-methoxyphenyl)propanenitrile is C17H17NO2.
What is the molecular weight of 2,3-Bis(4-methoxyphenyl)propanenitrile?
The molecular weight of 2,3-Bis(4-methoxyphenyl)propanenitrile is 267.13 g/mol.
Where can I buy 2,3-Bis(4-methoxyphenyl)propanenitrile?
You can request a quote for 2,3-Bis(4-methoxyphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(4-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(4-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.