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Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
TL;DR: Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CAS 52199-49-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Also Known As: Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, 1,2-Dihydrocyclobutabenzene-1-carboxamide, J1.426.981I, bicyclo[4.2.0]octa-1,3,5-triene-8-carboxamide, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide #
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 52199-49-2 |
|---|---|
| SMILES | C1C(C2=CC=CC=C21)C(=O)N |
| InChIKey | VMKBPBZBUCQWTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CAS 52199-49-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
Chemical Property Profile of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Property Insights of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide. With a topological polar surface area (TPSA) of 43.1 Ų, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has 1 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 Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The CAS number of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is 52199-49-2.
What is the molecular formula of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The molecular formula of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is C9H9NO.
What is the molecular weight of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The molecular weight of Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is 147.07 g/mol.
Where can I buy Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
You can request a quote for Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.