2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde
TL;DR: 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde (CAS 80376-88-1) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bicyclo[2.2.1]hept-5-enyl)acetaldehyde
Also Known As: norborn-5-en-2-yl-acetaldehyde, (5-norbornen-2-yl)acetoaldehyde, 2-{bicyclo[2.2.1]hept-5-en-2-yl}acetaldehyde, 2-(5-norbornen-2-yl)acetaldehyde, Bicyclo[2.2.1]hept-5-en-2-yl-acetaldehyde
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 80376-88-1 |
|---|---|
| SMILES | C1C2CC(C1C=C2)CC=O |
| InChIKey | HGPAAOXEISGNNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde (CAS 80376-88-1), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2-(2-bicyclo[2.2.1]hept-5-enyl)acetaldehyde.
Chemical Property Profile of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde
Property Insights of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde 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-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde?
The CAS number of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde is 80376-88-1.
What is the molecular formula of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde?
The molecular formula of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde is C9H12O.
What is the molecular weight of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde?
The molecular weight of 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde is 136.09 g/mol.
Where can I buy 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde?
You can request a quote for 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bicyclo(2.2.1)hept-5-en-2-yl)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.