4-Allyl-benzonitrile
TL;DR: 4-Allyl-benzonitrile (CAS 51980-05-3) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enylbenzonitrile
Also Known As: 4-allylbenzonitrile, 3-(4-CYANOPHENYL)-1-PROPENE, 4-allyl-benzonitrile, 4-prop-2-enylbenzonitrile, 4-(prop-2-en-1-yl)benzonitrile
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.28678 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 276.73624 |
Chemical Identifiers
| CAS Number | 51980-05-3 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)C#N |
Product Overview
4-Allyl-benzonitrile (CAS 51980-05-3), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 4-prop-2-enylbenzonitrile.
Chemical Property Profile of 4-Allyl-benzonitrile
Property Insights of 4-Allyl-benzonitrile
The XLogP value of 2.28678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyl-benzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Allyl-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-benzonitrile has 0 hydrogen bond donor(s) and 1 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 4-Allyl-benzonitrile?
The CAS number of 4-Allyl-benzonitrile is 51980-05-3.
What is the molecular formula of 4-Allyl-benzonitrile?
The molecular formula of 4-Allyl-benzonitrile is C10H9N.
What is the molecular weight of 4-Allyl-benzonitrile?
The molecular weight of 4-Allyl-benzonitrile is 143.07 g/mol.
Where can I buy 4-Allyl-benzonitrile?
You can request a quote for 4-Allyl-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.