1-Pentynylbenzene
TL;DR: 1-Pentynylbenzene (CAS 4250-81-1) 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.
pent-1-ynylbenzene
Also Known As: 1-Phenyl-1-pentyne, pent-1-yn-1-ylbenzene, 1-Pentynylbenzene, pent-1-ynylbenzene, Benzene, 1-pentynyl-
| Molecular Formula | C11H12 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.0939 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 4250-81-1 |
|---|---|
| SMILES | CCCC#CC1=CC=CC=C1 |
| InChIKey | DEGIOKWPYFOHGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pentynylbenzene (CAS 4250-81-1), with molecular formula C11H12 and molecular weight 144.09 g/mol. IUPAC: pent-1-ynylbenzene.
Chemical Property Profile of 1-Pentynylbenzene
Property Insights of 1-Pentynylbenzene
The XLogP value of 3.7 indicates that 1-Pentynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Pentynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentynylbenzene 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 1-Pentynylbenzene?
The CAS number of 1-Pentynylbenzene is 4250-81-1.
What is the molecular formula of 1-Pentynylbenzene?
The molecular formula of 1-Pentynylbenzene is C11H12.
What is the molecular weight of 1-Pentynylbenzene?
The molecular weight of 1-Pentynylbenzene is 144.09 g/mol.
Where can I buy 1-Pentynylbenzene?
You can request a quote for 1-Pentynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.