3,4-Cyclobutenopyridine
TL;DR: 3,4-Cyclobutenopyridine (CAS 56911-27-4) is a chemical compound with molecular formula C7H7N and molecular weight 105.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azabicyclo[4.2.0]octa-1(6),2,4-triene
Also Known As: 3,4-Cyclobutenopyridine, Cyclobuta[c]pyridine, 3,4-Ethanopyridine, 3-Azabicyclo[4.2.0]octa-1,3,5-triene, J1.749.426K
| Molecular Formula | C7H7N |
|---|---|
| Molecular Weight | 105.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 105.057846 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 56911-27-4 |
|---|---|
| SMILES | C1CC2=C1C=CN=C2 |
| InChIKey | ZUWBZVZRPOWTJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Cyclobutenopyridine (CAS 56911-27-4), with molecular formula C7H7N and molecular weight 105.06 g/mol. IUPAC: 3-azabicyclo[4.2.0]octa-1(6),2,4-triene.
Chemical Property Profile of 3,4-Cyclobutenopyridine
Property Insights of 3,4-Cyclobutenopyridine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Cyclobutenopyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 3,4-Cyclobutenopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Cyclobutenopyridine 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 3,4-Cyclobutenopyridine?
The CAS number of 3,4-Cyclobutenopyridine is 56911-27-4.
What is the molecular formula of 3,4-Cyclobutenopyridine?
The molecular formula of 3,4-Cyclobutenopyridine is C7H7N.
What is the molecular weight of 3,4-Cyclobutenopyridine?
The molecular weight of 3,4-Cyclobutenopyridine is 105.06 g/mol.
Where can I buy 3,4-Cyclobutenopyridine?
You can request a quote for 3,4-Cyclobutenopyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Cyclobutenopyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Cyclobutenopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.