7-Acetoxybicyclo(2.2.1)-2,5-heptadiene
TL;DR: 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene (CAS 13426-49-8) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bicyclo[2.2.1]hepta-2,5-dienyl acetate
Also Known As: 7-Norbornadienyl acetate, 7-Norbornadienyl-acetat, 7-acetoxy-2,5-norbornadiene, 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene, 7-bicyclo[2.2.1]hepta-2,5-dienyl acetate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13426-49-8 |
|---|---|
| SMILES | CC(=O)OC1C2C=CC1C=C2 |
| InChIKey | FLHISVDCSFSARC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Acetoxybicyclo(2.2.1)-2,5-heptadiene (CAS 13426-49-8), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 7-bicyclo[2.2.1]hepta-2,5-dienyl acetate.
Chemical Property Profile of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene
Property Insights of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene has 0 hydrogen bond donor(s) and 2 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-Acetoxybicyclo(2.2.1)-2,5-heptadiene?
The CAS number of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene is 13426-49-8.
What is the molecular formula of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene?
The molecular formula of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene is C9H10O2.
What is the molecular weight of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene?
The molecular weight of 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene is 150.07 g/mol.
Where can I buy 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene?
You can request a quote for 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetoxybicyclo(2.2.1)-2,5-heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.