3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile
TL;DR: 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile (CAS 383903-93-3) is a chemical compound with molecular formula C19H21NO and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanenitrile
Also Known As: 3-(4-isopropoxyphenyl)-3-(p-tolyl)propanenitrile, 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanenitrile, 3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propanenitrile, 3-(4-ISOPROPOXYPHENYL)-3-(4-METHYLPHENYL)PROPANENITRILE
| Molecular Formula | C19H21NO |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 4.8278 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.16232 |
| Heavy Atoms | 21 |
| Complexity | 605.50977 |
Chemical Identifiers
| CAS Number | 383903-93-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC#N)C2=CC=C(C=C2)OC(C)C |
Product Overview
3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile (CAS 383903-93-3), with molecular formula C19H21NO and molecular weight 279.16 g/mol. IUPAC: 3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanenitrile.
Chemical Property Profile of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile
Property Insights of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile
The XLogP value of 4.8278 indicates that 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile 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 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile?
The CAS number of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile is 383903-93-3.
What is the molecular formula of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile?
The molecular formula of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile is C19H21NO.
What is the molecular weight of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile?
The molecular weight of 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile is 279.16 g/mol.
Where can I buy 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile?
You can request a quote for 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isopropoxyphenyl)-3-(p-tolyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.