4-Hex-1-ynylbenzonitrile
TL;DR: 4-Hex-1-ynylbenzonitrile (CAS 175203-91-5) is a chemical compound with molecular formula C13H13N and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hex-1-ynylbenzonitrile
Also Known As: 4-hex-1-ynylbenzonitrile, 4-(hex-1-yn-1-yl)benzonitrile, Benzonitrile, 4-(1-hexyn-1-yl)-, 2,5-Dihydroxy-benzoicacid, 4-(1-Hexynyl)benzonitrile
| Molecular Formula | C13H13N |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 3.09998 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.1048 |
| Heavy Atoms | 14 |
| Complexity | 370.4271 |
Chemical Identifiers
| CAS Number | 175203-91-5 |
|---|---|
| SMILES | CCCCC#CC1=CC=C(C=C1)C#N |
Product Overview
4-Hex-1-ynylbenzonitrile (CAS 175203-91-5), with molecular formula C13H13N and molecular weight 183.10 g/mol. IUPAC: 4-hex-1-ynylbenzonitrile.
Chemical Property Profile of 4-Hex-1-ynylbenzonitrile
Property Insights of 4-Hex-1-ynylbenzonitrile
The XLogP value of 3.09998 indicates that 4-Hex-1-ynylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Hex-1-ynylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hex-1-ynylbenzonitrile 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-Hex-1-ynylbenzonitrile?
The CAS number of 4-Hex-1-ynylbenzonitrile is 175203-91-5.
What is the molecular formula of 4-Hex-1-ynylbenzonitrile?
The molecular formula of 4-Hex-1-ynylbenzonitrile is C13H13N.
What is the molecular weight of 4-Hex-1-ynylbenzonitrile?
The molecular weight of 4-Hex-1-ynylbenzonitrile is 183.10 g/mol.
Where can I buy 4-Hex-1-ynylbenzonitrile?
You can request a quote for 4-Hex-1-ynylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hex-1-ynylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hex-1-ynylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.