3-Chlorocyclobutane-1,1-dicarboxylic acid
TL;DR: 3-Chlorocyclobutane-1,1-dicarboxylic acid (CAS 89639-43-0) is a chemical compound with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorocyclobutane-1,1-dicarboxylic acid
Also Known As: 3-chlorocyclobutane-1,1-dicarboxylic Acid, 3-CHLORO-CYCLOBUTANE-DICARBOXYLIC ACID, 3-chloro-1,1-cyclobutanedicarboxylic acid, 1,1-Cyclobutanedicarboxylic acid, 3-chloro-, 3-Chlorocyclobutan-1,1-dicarbonsaeure
| Molecular Formula | C6H7ClO4 |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 0.5432 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.00328 |
| Heavy Atoms | 11 |
| Complexity | 190.62782 |
Chemical Identifiers
| CAS Number | 89639-43-0 |
|---|---|
| SMILES | C1C(CC1(C(=O)O)C(=O)O)Cl |
Product Overview
3-Chlorocyclobutane-1,1-dicarboxylic acid (CAS 89639-43-0), with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol. IUPAC: 3-chlorocyclobutane-1,1-dicarboxylic acid.
Chemical Property Profile of 3-Chlorocyclobutane-1,1-dicarboxylic acid
Property Insights of 3-Chlorocyclobutane-1,1-dicarboxylic acid
The XLogP value of 0.5432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorocyclobutane-1,1-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorocyclobutane-1,1-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Chlorocyclobutane-1,1-dicarboxylic acid has 2 hydrogen bond donor(s) and 2 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-Chlorocyclobutane-1,1-dicarboxylic acid?
The CAS number of 3-Chlorocyclobutane-1,1-dicarboxylic acid is 89639-43-0.
What is the molecular formula of 3-Chlorocyclobutane-1,1-dicarboxylic acid?
The molecular formula of 3-Chlorocyclobutane-1,1-dicarboxylic acid is C6H7ClO4.
What is the molecular weight of 3-Chlorocyclobutane-1,1-dicarboxylic acid?
The molecular weight of 3-Chlorocyclobutane-1,1-dicarboxylic acid is 178.00 g/mol.
Where can I buy 3-Chlorocyclobutane-1,1-dicarboxylic acid?
You can request a quote for 3-Chlorocyclobutane-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-Chlorocyclobutane-1,1-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorocyclobutane-1,1-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.