3-(2-Phenyldiazenyl)-2-butenenitrile
TL;DR: 3-(2-Phenyldiazenyl)-2-butenenitrile (CAS 538-54-5) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyldiazenylbut-2-enenitrile
Also Known As: 3-phenyldiazenylbut-2-enenitrile, 3-(2-Phenyldiazenyl)-2-butenenitrile, 3-(Phenyldiazenyl)but-2-enenitrile
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 3.19768 |
| Topological Polar Surface Area | 48.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 357.5063 |
Chemical Identifiers
| CAS Number | 538-54-5 |
|---|---|
| SMILES | CC(=CC#N)N=NC1=CC=CC=C1 |
Product Overview
3-(2-Phenyldiazenyl)-2-butenenitrile (CAS 538-54-5), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 3-phenyldiazenylbut-2-enenitrile.
Chemical Property Profile of 3-(2-Phenyldiazenyl)-2-butenenitrile
Property Insights of 3-(2-Phenyldiazenyl)-2-butenenitrile
The XLogP value of 3.19768 indicates that 3-(2-Phenyldiazenyl)-2-butenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.51 Ų, 3-(2-Phenyldiazenyl)-2-butenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Phenyldiazenyl)-2-butenenitrile 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 3-(2-Phenyldiazenyl)-2-butenenitrile?
The CAS number of 3-(2-Phenyldiazenyl)-2-butenenitrile is 538-54-5.
What is the molecular formula of 3-(2-Phenyldiazenyl)-2-butenenitrile?
The molecular formula of 3-(2-Phenyldiazenyl)-2-butenenitrile is C10H9N3.
What is the molecular weight of 3-(2-Phenyldiazenyl)-2-butenenitrile?
The molecular weight of 3-(2-Phenyldiazenyl)-2-butenenitrile is 171.08 g/mol.
Where can I buy 3-(2-Phenyldiazenyl)-2-butenenitrile?
You can request a quote for 3-(2-Phenyldiazenyl)-2-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Phenyldiazenyl)-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Phenyldiazenyl)-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.