3-Phenylcyclobutane-1,1-dicarboxylic acid
TL;DR: 3-Phenylcyclobutane-1,1-dicarboxylic acid (CAS 1570-97-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylcyclobutane-1,1-dicarboxylic acid
Also Known As: 3-phenylcyclobutane-1,1-dicarboxylic acid, 3-Phenyl-cyclobutan-1,1-dicarbonsaeure, 1,1-Cyclobutanedicarboxylicacid, 3-phenyl-, RefChem:281794
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 1570-97-4 |
|---|---|
| SMILES | C1C(CC1(C(=O)O)C(=O)O)C2=CC=CC=C2 |
| InChIKey | RHPFDRMFEKJHED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylcyclobutane-1,1-dicarboxylic acid (CAS 1570-97-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 3-phenylcyclobutane-1,1-dicarboxylic acid.
Chemical Property Profile of 3-Phenylcyclobutane-1,1-dicarboxylic acid
Property Insights of 3-Phenylcyclobutane-1,1-dicarboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylcyclobutane-1,1-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenylcyclobutane-1,1-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Phenylcyclobutane-1,1-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 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-Phenylcyclobutane-1,1-dicarboxylic acid?
The CAS number of 3-Phenylcyclobutane-1,1-dicarboxylic acid is 1570-97-4.
What is the molecular formula of 3-Phenylcyclobutane-1,1-dicarboxylic acid?
The molecular formula of 3-Phenylcyclobutane-1,1-dicarboxylic acid is C12H12O4.
What is the molecular weight of 3-Phenylcyclobutane-1,1-dicarboxylic acid?
The molecular weight of 3-Phenylcyclobutane-1,1-dicarboxylic acid is 220.07 g/mol.
Where can I buy 3-Phenylcyclobutane-1,1-dicarboxylic acid?
You can request a quote for 3-Phenylcyclobutane-1,1-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylcyclobutane-1,1-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylcyclobutane-1,1-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.