1,4-Cyclohexadiene, 6-methyl
TL;DR: 1,4-Cyclohexadiene, 6-methyl (CAS 2050-31-9) 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.
3-methylcyclohexa-1,4-diene
Also Known As: 1,4-dihydrotoluene, 3-methylcyclohexa-1,4-diene, 1,4-Cyclohexadiene, 6-methyl, 3-methyl-1,4-cyclohexadiene, 6-Methyl-1,4-cyclohexadiene
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 2.5 |
| 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 | 86.0 |
Chemical Identifiers
| CAS Number | 2050-31-9 |
|---|---|
| SMILES | CC1C=CCC=C1 |
| InChIKey | LDXWTNBYKFXMDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexadiene, 6-methyl (CAS 2050-31-9), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: 3-methylcyclohexa-1,4-diene.
Chemical Property Profile of 1,4-Cyclohexadiene, 6-methyl
Property Insights of 1,4-Cyclohexadiene, 6-methyl
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene, 6-methyl. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Cyclohexadiene, 6-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene, 6-methyl 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, 6-methyl?
The CAS number of 1,4-Cyclohexadiene, 6-methyl is 2050-31-9.
What is the molecular formula of 1,4-Cyclohexadiene, 6-methyl?
The molecular formula of 1,4-Cyclohexadiene, 6-methyl is C7H10.
What is the molecular weight of 1,4-Cyclohexadiene, 6-methyl?
The molecular weight of 1,4-Cyclohexadiene, 6-methyl is 94.08 g/mol.
Where can I buy 1,4-Cyclohexadiene, 6-methyl?
You can request a quote for 1,4-Cyclohexadiene, 6-methyl 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, 6-methyl?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene, 6-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.