3,4-Dichlorocyclobutane-1,2-dicarboxylic acid
TL;DR: 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid (CAS 90465-61-5) is a chemical compound with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorocyclobutane-1,2-dicarboxylic acid
Also Known As: 3,4-dichlorocyclobutane-1,2-dicarboxylic acid
| Molecular Formula | C6H6Cl2O4 |
|---|---|
| Molecular Weight | 211.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.96431 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 90465-61-5 |
|---|---|
| SMILES | C1(C(C(C1Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | ARWRXIGRIDMEPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorocyclobutane-1,2-dicarboxylic acid (CAS 90465-61-5), with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol. IUPAC: 3,4-dichlorocyclobutane-1,2-dicarboxylic acid.
Chemical Property Profile of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid
Property Insights of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 3,4-Dichlorocyclobutane-1,2-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 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid?
The CAS number of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid is 90465-61-5.
What is the molecular formula of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid?
The molecular formula of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid is C6H6Cl2O4.
What is the molecular weight of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid?
The molecular weight of 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid is 211.96 g/mol.
Where can I buy 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid?
You can request a quote for 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorocyclobutane-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.