3-Benzyloxycyclobutane-1,1-dicarboxylic acid
TL;DR: 3-Benzyloxycyclobutane-1,1-dicarboxylic acid (CAS 54166-15-3) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxycyclobutane-1,1-dicarboxylic acid
Also Known As: 3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid, 3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid, 3-BENZYLOXYCYCLOBUTANE-1,1-DICARBOXYLIC ACID, 3-phenylmethoxycyclobutane-1,1-dicarboxylic acid, 1,1-cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 54166-15-3 |
|---|---|
| SMILES | C1C(CC1(C(=O)O)C(=O)O)OCC2=CC=CC=C2 |
| InChIKey | LYRCCQROQBVCRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyloxycyclobutane-1,1-dicarboxylic acid (CAS 54166-15-3), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: 3-phenylmethoxycyclobutane-1,1-dicarboxylic acid.
Chemical Property Profile of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid
Property Insights of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyloxycyclobutane-1,1-dicarboxylic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyloxycyclobutane-1,1-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Benzyloxycyclobutane-1,1-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 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-Benzyloxycyclobutane-1,1-dicarboxylic acid?
The CAS number of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid is 54166-15-3.
What is the molecular formula of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid?
The molecular formula of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid is C13H14O5.
What is the molecular weight of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid?
The molecular weight of 3-Benzyloxycyclobutane-1,1-dicarboxylic acid is 250.08 g/mol.
Where can I buy 3-Benzyloxycyclobutane-1,1-dicarboxylic acid?
You can request a quote for 3-Benzyloxycyclobutane-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-Benzyloxycyclobutane-1,1-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxycyclobutane-1,1-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.