1,4-Cyclohexadiene, 1,4-dimethyl-
TL;DR: 1,4-Cyclohexadiene, 1,4-dimethyl- (CAS 4074-22-0) 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.
1,4-dimethylcyclohexa-1,4-diene
Also Known As: 1,4-dimethylcyclohexa-1,4-diene, 1,4-Cyclohexadiene, 1,4-dimethyl-, 1,4-Dimethyl-1,4-cycolhexadiene, 1,4-DIMETHYL-1,4-CYCLOHEXADIENE, RefChem:220298
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 2.6728 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 120.1173 |
Chemical Identifiers
| CAS Number | 4074-22-0 |
|---|---|
| SMILES | CC1=CCC(=CC1)C |
Product Overview
1,4-Cyclohexadiene, 1,4-dimethyl- (CAS 4074-22-0), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 1,4-dimethylcyclohexa-1,4-diene.
Chemical Property Profile of 1,4-Cyclohexadiene, 1,4-dimethyl-
Property Insights of 1,4-Cyclohexadiene, 1,4-dimethyl-
The XLogP value of 2.6728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene, 1,4-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Cyclohexadiene, 1,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene, 1,4-dimethyl- 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, 1,4-dimethyl-?
The CAS number of 1,4-Cyclohexadiene, 1,4-dimethyl- is 4074-22-0.
What is the molecular formula of 1,4-Cyclohexadiene, 1,4-dimethyl-?
The molecular formula of 1,4-Cyclohexadiene, 1,4-dimethyl- is C8H12.
What is the molecular weight of 1,4-Cyclohexadiene, 1,4-dimethyl-?
The molecular weight of 1,4-Cyclohexadiene, 1,4-dimethyl- is 108.09 g/mol.
Where can I buy 1,4-Cyclohexadiene, 1,4-dimethyl-?
You can request a quote for 1,4-Cyclohexadiene, 1,4-dimethyl- 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, 1,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene, 1,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.