Cyclohexadiene, 1-methoxy-
TL;DR: Cyclohexadiene, 1-methoxy- (CAS 2161-90-2) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxycyclohexa-1,3-diene
Also Known As: 1-Methoxy-1,3-cyclohexadiene, Dihydroanisole, 1-Methoxycyclohexa-1,3-diene, 1-Methoxycyclohexadiene, Cyclohexadiene, 1-methoxy-
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 2161-90-2 |
|---|---|
| SMILES | COC1=CC=CCC1 |
| InChIKey | LNRUJSUKKBJFOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexadiene, 1-methoxy- (CAS 2161-90-2), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: 1-methoxycyclohexa-1,3-diene.
Chemical Property Profile of Cyclohexadiene, 1-methoxy-
Property Insights of Cyclohexadiene, 1-methoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexadiene, 1-methoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, Cyclohexadiene, 1-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexadiene, 1-methoxy- has 0 hydrogen bond donor(s) and 1 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 Cyclohexadiene, 1-methoxy-?
The CAS number of Cyclohexadiene, 1-methoxy- is 2161-90-2.
What is the molecular formula of Cyclohexadiene, 1-methoxy-?
The molecular formula of Cyclohexadiene, 1-methoxy- is C7H10O.
What is the molecular weight of Cyclohexadiene, 1-methoxy-?
The molecular weight of Cyclohexadiene, 1-methoxy- is 110.07 g/mol.
Where can I buy Cyclohexadiene, 1-methoxy-?
You can request a quote for Cyclohexadiene, 1-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexadiene, 1-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexadiene, 1-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.