4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile
TL;DR: 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile (CAS 152173-72-3) is a chemical compound with molecular formula C19H20N4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(azepan-1-yl)phenyl]diazenyl]benzonitrile
Also Known As: 4-(4-(HEXAHYDRO-1H-AZEPIN-1-YL)PHENYLAZO)BENZONITRILE, 4-[4-(azepan-1-yl)phenyl]diazenylbenzonitrile, 4-[[4-(azepan-1-yl)phenyl]diazenyl]benzonitrile, 4-[(E)-2-[4-(azepan-1-yl)phenyl]diazen-1-yl]benzonitrile, Benzonitrile, 4-[[4-(hexahydro-1H-azepin-1-yl)phenyl]azo]-
| Molecular Formula | C19H20N4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 5.35408 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1688 |
| Heavy Atoms | 23 |
| Complexity | 687.64465 |
Chemical Identifiers
| CAS Number | 152173-72-3 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C#N |
Product Overview
4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile (CAS 152173-72-3), with molecular formula C19H20N4 and molecular weight 304.17 g/mol. IUPAC: 4-[[4-(azepan-1-yl)phenyl]diazenyl]benzonitrile.
Chemical Property Profile of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile
Property Insights of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile
The XLogP value of 5.35408 indicates that 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile?
The CAS number of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile is 152173-72-3.
What is the molecular formula of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile?
The molecular formula of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile is C19H20N4.
What is the molecular weight of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile?
The molecular weight of 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile is 304.17 g/mol.
Where can I buy 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile?
You can request a quote for 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Hexahydro-1H-azepin-1-YL)phenylazo)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.