Benzene, (3-ethyl-1-pentynyl)-
TL;DR: Benzene, (3-ethyl-1-pentynyl)- (CAS 73829-94-4) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylpent-1-ynylbenzene
Also Known As: 3-(Phenylethynyl)pentane, Benzene, (3-ethyl-1-pentynyl)-, 3-ethylpent-1-ynylbenzene, 1-Phenyl-3-ethyl-1-pentyne, (3-ethylpent-1-yn-1-yl)benzene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 73829-94-4 |
|---|---|
| SMILES | CCC(CC)C#CC1=CC=CC=C1 |
| InChIKey | WJQBALSWJCYVQH-UHFFFAOYSA-N |
Product Overview
Benzene, (3-ethyl-1-pentynyl)- (CAS 73829-94-4), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 3-ethylpent-1-ynylbenzene.
Chemical Property Profile of Benzene, (3-ethyl-1-pentynyl)-
Property Insights of Benzene, (3-ethyl-1-pentynyl)-
The XLogP value of 4.5 indicates that Benzene, (3-ethyl-1-pentynyl)- 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, (3-ethyl-1-pentynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-ethyl-1-pentynyl)- 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, (3-ethyl-1-pentynyl)-?
The CAS number of Benzene, (3-ethyl-1-pentynyl)- is 73829-94-4.
What is the molecular formula of Benzene, (3-ethyl-1-pentynyl)-?
The molecular formula of Benzene, (3-ethyl-1-pentynyl)- is C13H16.
What is the molecular weight of Benzene, (3-ethyl-1-pentynyl)-?
The molecular weight of Benzene, (3-ethyl-1-pentynyl)- is 172.13 g/mol.
Where can I buy Benzene, (3-ethyl-1-pentynyl)-?
You can request a quote for Benzene, (3-ethyl-1-pentynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3-ethyl-1-pentynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3-ethyl-1-pentynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.