3-Phenylcyclobutenone
TL;DR: 3-Phenylcyclobutenone (CAS 38425-47-7) is a chemical compound with molecular formula C10H8O and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylcyclobut-2-en-1-one
Also Known As: 3-Phenylcyclobutenone, 3-phenylcyclobut-2-en-1-one, 3-phenyl-2-cyclobuten-1-one, 3-phenyl-cyclobut-2-en-1-one, 2-Cyclobuten-1-one, 3-phenyl-
| Molecular Formula | C10H8O |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.05751 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 38425-47-7 |
|---|---|
| SMILES | C1C(=CC1=O)C2=CC=CC=C2 |
| InChIKey | IVOQFIKQFGCRBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylcyclobutenone (CAS 38425-47-7), with molecular formula C10H8O and molecular weight 144.06 g/mol. IUPAC: 3-phenylcyclobut-2-en-1-one.
Chemical Property Profile of 3-Phenylcyclobutenone
Property Insights of 3-Phenylcyclobutenone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylcyclobutenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Phenylcyclobutenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylcyclobutenone 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-Phenylcyclobutenone?
The CAS number of 3-Phenylcyclobutenone is 38425-47-7.
What is the molecular formula of 3-Phenylcyclobutenone?
The molecular formula of 3-Phenylcyclobutenone is C10H8O.
What is the molecular weight of 3-Phenylcyclobutenone?
The molecular weight of 3-Phenylcyclobutenone is 144.06 g/mol.
Where can I buy 3-Phenylcyclobutenone?
You can request a quote for 3-Phenylcyclobutenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylcyclobutenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylcyclobutenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.