7-Methoxycycloheptatriene
TL;DR: 7-Methoxycycloheptatriene (CAS 1714-38-1) is a chemical compound with molecular formula COC1C=CC=CC=C1 and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxycyclohepta-1,3,5-triene
Also Known As: 7-Methoxycycloheptatriene, 7-Methoxytropilidene, 7-Methoxycyclohepta-1,3,5-triene, 7-Methoxy-1,3,5-cycloheptatriene, 1,3,5-Cycloheptatriene, 7-methoxy-
| Molecular Formula | COC1C=CC=CC=C1 |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 1714-38-1 |
|---|---|
| SMILES | COC1C=CC=CC=C1 |
| InChIKey | RUJLQZXBIZHGNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methoxycycloheptatriene (CAS 1714-38-1), with molecular formula COC1C=CC=CC=C1 and molecular weight 122.07 g/mol. IUPAC: 7-methoxycyclohepta-1,3,5-triene.
Chemical Property Profile of 7-Methoxycycloheptatriene
Property Insights of 7-Methoxycycloheptatriene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxycycloheptatriene. With a topological polar surface area (TPSA) of 9.2 Ų, 7-Methoxycycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxycycloheptatriene 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 7-Methoxycycloheptatriene?
The CAS number of 7-Methoxycycloheptatriene is 1714-38-1.
What is the molecular formula of 7-Methoxycycloheptatriene?
The molecular formula of 7-Methoxycycloheptatriene is COC1C=CC=CC=C1.
What is the molecular weight of 7-Methoxycycloheptatriene?
The molecular weight of 7-Methoxycycloheptatriene is 122.07 g/mol.
Where can I buy 7-Methoxycycloheptatriene?
You can request a quote for 7-Methoxycycloheptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxycycloheptatriene?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxycycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.