Benzene, (1-methyl-2-butynyl)-
TL;DR: Benzene, (1-methyl-2-butynyl)- (CAS 87712-69-4) 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-3-yn-2-ylbenzene
Also Known As: 4-Phenyl-2-pentyne, pent-3-yn-2-ylbenzene, 4-Phenyl-pent-2-in, Benzene, (1-methyl-2-butynyl)-, (pent-3-yn-2-yl)benzene
| Molecular Formula | C11H12 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0939 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 87712-69-4 |
|---|---|
| SMILES | CC#CC(C)C1=CC=CC=C1 |
| InChIKey | IQXKRMIPUKYQNF-UHFFFAOYSA-N |
Product Overview
Benzene, (1-methyl-2-butynyl)- (CAS 87712-69-4), with molecular formula C11H12 and molecular weight 144.09 g/mol. IUPAC: pent-3-yn-2-ylbenzene.
Chemical Property Profile of Benzene, (1-methyl-2-butynyl)-
Property Insights of Benzene, (1-methyl-2-butynyl)-
The XLogP value of 3.9 indicates that Benzene, (1-methyl-2-butynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1-methyl-2-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-methyl-2-butynyl)- 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 Benzene, (1-methyl-2-butynyl)-?
The CAS number of Benzene, (1-methyl-2-butynyl)- is 87712-69-4.
What is the molecular formula of Benzene, (1-methyl-2-butynyl)-?
The molecular formula of Benzene, (1-methyl-2-butynyl)- is C11H12.
What is the molecular weight of Benzene, (1-methyl-2-butynyl)-?
The molecular weight of Benzene, (1-methyl-2-butynyl)- is 144.09 g/mol.
Where can I buy Benzene, (1-methyl-2-butynyl)-?
You can request a quote for Benzene, (1-methyl-2-butynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-methyl-2-butynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-methyl-2-butynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.