2-Butynylbenzene
TL;DR: 2-Butynylbenzene (CAS 33598-22-0) is a chemical compound with molecular formula C10H10 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-ynylbenzene
Also Known As: 2-Butynylbenzene, but-2-ynylbenzene, but-2-ynyl-benzene, 1-Phenyl-2-butyne, but-2-yn-1-ylbenzene
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 33598-22-0 |
|---|---|
| SMILES | CC#CCC1=CC=CC=C1 |
| InChIKey | PXKSPZIOORAWIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butynylbenzene (CAS 33598-22-0), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: but-2-ynylbenzene.
Chemical Property Profile of 2-Butynylbenzene
Property Insights of 2-Butynylbenzene
The XLogP value of 3.0 indicates that 2-Butynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Butynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butynylbenzene 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 2-Butynylbenzene?
The CAS number of 2-Butynylbenzene is 33598-22-0.
What is the molecular formula of 2-Butynylbenzene?
The molecular formula of 2-Butynylbenzene is C10H10.
What is the molecular weight of 2-Butynylbenzene?
The molecular weight of 2-Butynylbenzene is 130.08 g/mol.
Where can I buy 2-Butynylbenzene?
You can request a quote for 2-Butynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.