1,4-Cyclohexadiene, 1-ethyl-
TL;DR: 1,4-Cyclohexadiene, 1-ethyl- (CAS 19841-74-8) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylcyclohexa-1,4-diene
Also Known As: 1-Ethyl-1,4-cyclohexadiene, 1-ethylcyclohexa-1,4-diene, 1,4-Cyclohexadiene, 1-ethyl-, 1,4-Cyclohexadiene,1-ethyl-, 4,5-Dibromo-1H-1,2,3-triazole
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 19841-74-8 |
|---|---|
| SMILES | CCC1=CCC=CC1 |
| InChIKey | PUQJLFYISQDJKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexadiene, 1-ethyl- (CAS 19841-74-8), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 1-ethylcyclohexa-1,4-diene.
Chemical Property Profile of 1,4-Cyclohexadiene, 1-ethyl-
Property Insights of 1,4-Cyclohexadiene, 1-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene, 1-ethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Cyclohexadiene, 1-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene, 1-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 1,4-Cyclohexadiene, 1-ethyl-?
The CAS number of 1,4-Cyclohexadiene, 1-ethyl- is 19841-74-8.
What is the molecular formula of 1,4-Cyclohexadiene, 1-ethyl-?
The molecular formula of 1,4-Cyclohexadiene, 1-ethyl- is C8H12.
What is the molecular weight of 1,4-Cyclohexadiene, 1-ethyl-?
The molecular weight of 1,4-Cyclohexadiene, 1-ethyl- is 108.09 g/mol.
Where can I buy 1,4-Cyclohexadiene, 1-ethyl-?
You can request a quote for 1,4-Cyclohexadiene, 1-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene, 1-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene, 1-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.