4-Hepten-2-yne, 5-ethyl-
TL;DR: 4-Hepten-2-yne, 5-ethyl- (CAS 70058-01-4) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylhept-4-en-2-yne
Also Known As: 4-Hepten-2-yne, 5-ethyl-, 5-ethylhept-4-en-2-yne
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 70058-01-4 |
|---|---|
| SMILES | CCC(=CC#CC)CC |
| InChIKey | OJSHYJAEMZITND-UHFFFAOYSA-N |
Product Overview
4-Hepten-2-yne, 5-ethyl- (CAS 70058-01-4), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 5-ethylhept-4-en-2-yne.
Chemical Property Profile of 4-Hepten-2-yne, 5-ethyl-
Property Insights of 4-Hepten-2-yne, 5-ethyl-
The XLogP value of 3.6 indicates that 4-Hepten-2-yne, 5-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Hepten-2-yne, 5-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hepten-2-yne, 5-ethyl- 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 4-Hepten-2-yne, 5-ethyl-?
The CAS number of 4-Hepten-2-yne, 5-ethyl- is 70058-01-4.
What is the molecular formula of 4-Hepten-2-yne, 5-ethyl-?
The molecular formula of 4-Hepten-2-yne, 5-ethyl- is C9H14.
What is the molecular weight of 4-Hepten-2-yne, 5-ethyl-?
The molecular weight of 4-Hepten-2-yne, 5-ethyl- is 122.11 g/mol.
Where can I buy 4-Hepten-2-yne, 5-ethyl-?
You can request a quote for 4-Hepten-2-yne, 5-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hepten-2-yne, 5-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hepten-2-yne, 5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.