5-苯基-1-戊炔
TL;DR: 5-苯基-1-戊炔 (CAS 1823-14-9) is a chemical compound with molecular formula C11H12 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苯基-1-戊炔
pent-4-ynylbenzene
Also Known As: 5-Phenyl-1-pentyne, Pent-4-ynylbenzene, 5-phenylpentyne, null, Benzene, 4-pentynyl-
| Molecular Formula | C11H12 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.0939 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 1823-14-9 |
|---|---|
| SMILES | C#CCCCC1=CC=CC=C1 |
| InChIKey | KOSORCNALVBYBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苯基-1-戊炔 (CAS 1823-14-9), with molecular formula C11H12 and molecular weight 144.09 g/mol. IUPAC: pent-4-ynylbenzene.
Chemical Property Profile of 5-苯基-1-戊炔
Property Insights of 5-苯基-1-戊炔
The XLogP value of 3.8 indicates that 5-苯基-1-戊炔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-苯基-1-戊炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苯基-1-戊炔 has 0 hydrogen bond donor(s) and 0 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 5-苯基-1-戊炔?
The CAS number of 5-苯基-1-戊炔 is 1823-14-9.
What is the molecular formula of 5-苯基-1-戊炔?
The molecular formula of 5-苯基-1-戊炔 is C11H12.
What is the molecular weight of 5-苯基-1-戊炔?
The molecular weight of 5-苯基-1-戊炔 is 144.09 g/mol.
Where can I buy 5-苯基-1-戊炔?
You can request a quote for 5-苯基-1-戊炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯基-1-戊炔?
Yes, KEHONG BIO provides custom synthesis services for 5-苯基-1-戊炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.