2-Methoxy-1,3-cycloheptadiene
TL;DR: 2-Methoxy-1,3-cycloheptadiene (CAS 98677-95-3) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxycyclohepta-1,3-diene
Also Known As: 2-Methoxy-1,3-cycloheptadiene, 2-methoxycyclohepta-1,3-diene
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 98677-95-3 |
|---|---|
| SMILES | COC1=CCCCC=C1 |
| InChIKey | JYVRGXIYJXJIBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-1,3-cycloheptadiene (CAS 98677-95-3), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 2-methoxycyclohepta-1,3-diene.
Chemical Property Profile of 2-Methoxy-1,3-cycloheptadiene
Property Insights of 2-Methoxy-1,3-cycloheptadiene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1,3-cycloheptadiene. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Methoxy-1,3-cycloheptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1,3-cycloheptadiene 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 2-Methoxy-1,3-cycloheptadiene?
The CAS number of 2-Methoxy-1,3-cycloheptadiene is 98677-95-3.
What is the molecular formula of 2-Methoxy-1,3-cycloheptadiene?
The molecular formula of 2-Methoxy-1,3-cycloheptadiene is C8H12O.
What is the molecular weight of 2-Methoxy-1,3-cycloheptadiene?
The molecular weight of 2-Methoxy-1,3-cycloheptadiene is 124.09 g/mol.
Where can I buy 2-Methoxy-1,3-cycloheptadiene?
You can request a quote for 2-Methoxy-1,3-cycloheptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-1,3-cycloheptadiene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1,3-cycloheptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.