7-Ethyl-1,3,5-cycloheptatriene
TL;DR: 7-Ethyl-1,3,5-cycloheptatriene (CAS 17634-51-4) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethylcyclohepta-1,3,5-triene
Also Known As: 7-Ethyl-1,3,5-cycloheptatriene, 7-Ethylcycloheptatriene, 7-ethylcyclohepta-1,3,5-triene, 1,3,5-Cycloheptatriene, 7-ethyl-, 7-ethyl-cyclohepta-1,3,5-triene
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 17634-51-4 |
|---|---|
| SMILES | CCC1C=CC=CC=C1 |
| InChIKey | DKCPRYXLHFWDCQ-UHFFFAOYSA-N |
Product Overview
7-Ethyl-1,3,5-cycloheptatriene (CAS 17634-51-4), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 7-ethylcyclohepta-1,3,5-triene.
Chemical Property Profile of 7-Ethyl-1,3,5-cycloheptatriene
Property Insights of 7-Ethyl-1,3,5-cycloheptatriene
The XLogP value of 3.5 indicates that 7-Ethyl-1,3,5-cycloheptatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Ethyl-1,3,5-cycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethyl-1,3,5-cycloheptatriene 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 7-Ethyl-1,3,5-cycloheptatriene?
The CAS number of 7-Ethyl-1,3,5-cycloheptatriene is 17634-51-4.
What is the molecular formula of 7-Ethyl-1,3,5-cycloheptatriene?
The molecular formula of 7-Ethyl-1,3,5-cycloheptatriene is C9H12.
What is the molecular weight of 7-Ethyl-1,3,5-cycloheptatriene?
The molecular weight of 7-Ethyl-1,3,5-cycloheptatriene is 120.09 g/mol.
Where can I buy 7-Ethyl-1,3,5-cycloheptatriene?
You can request a quote for 7-Ethyl-1,3,5-cycloheptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethyl-1,3,5-cycloheptatriene?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl-1,3,5-cycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.