Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-
TL;DR: Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- (CAS 383410-71-7) is a chemical compound with molecular formula C20H24N2O and molecular weight 308.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-amino-4-heptoxyphenyl)benzonitrile
Also Known As: 4-(3-amino-4-heptoxyphenyl)benzonitrile, Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-, 3'-Amino-4'-(heptyloxy)[1,1'-biphenyl]-4-carbonitrile #, 3'-AMINO-4'-(HEPTYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILE
| Molecular Formula | C20H24N2O |
|---|---|
| Molecular Weight | 308.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.18887 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 383410-71-7 |
|---|---|
| SMILES | CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)N |
| InChIKey | GZMFILTYSAHBMK-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- (CAS 383410-71-7), with molecular formula C20H24N2O and molecular weight 308.19 g/mol. IUPAC: 4-(3-amino-4-heptoxyphenyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-
Property Insights of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-
The XLogP value of 5.4 indicates that Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-?
The CAS number of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- is 383410-71-7.
What is the molecular formula of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-?
The molecular formula of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- is C20H24N2O.
What is the molecular weight of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-?
The molecular weight of Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- is 308.19 g/mol.
Where can I buy Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-?
You can request a quote for Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(3-amino-4-heptyloxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.