1-Methyl-1,4-cyclohexadiene
TL;DR: 1-Methyl-1,4-cyclohexadiene (CAS 4313-57-9) is a chemical compound with molecular formula C7H10 and molecular weight 94.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclohexa-1,4-diene
Also Known As: 1-Methyl-1,4-cyclohexadiene, 1-Methylcyclohexa-1,4-diene, 2,5-Dihydrotoluene, 1,4-Cyclohexadiene, 1-methyl-, 1, 1-methyl-
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.07825 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 4313-57-9 |
|---|---|
| SMILES | CC1=CCC=CC1 |
| InChIKey | QDXQAOGNBCOEQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,4-cyclohexadiene (CAS 4313-57-9), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: 1-methylcyclohexa-1,4-diene.
Chemical Property Profile of 1-Methyl-1,4-cyclohexadiene
Property Insights of 1-Methyl-1,4-cyclohexadiene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,4-cyclohexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-1,4-cyclohexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,4-cyclohexadiene 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-Methyl-1,4-cyclohexadiene?
The CAS number of 1-Methyl-1,4-cyclohexadiene is 4313-57-9.
What is the molecular formula of 1-Methyl-1,4-cyclohexadiene?
The molecular formula of 1-Methyl-1,4-cyclohexadiene is C7H10.
What is the molecular weight of 1-Methyl-1,4-cyclohexadiene?
The molecular weight of 1-Methyl-1,4-cyclohexadiene is 94.08 g/mol.
Where can I buy 1-Methyl-1,4-cyclohexadiene?
You can request a quote for 1-Methyl-1,4-cyclohexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1,4-cyclohexadiene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,4-cyclohexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.