3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid
TL;DR: 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid (CAS 936-87-8) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylcyclopropane-1,2-dicarboxylic acid
Also Known As: caronic acid, 3,3-dimethylcyclopropane-1,2-dicarboxylic acid, cis-Caronic acid, 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid, 3,3 DIMETHYL CIS 1,2 CYCLOPROPANE DICARBOXYLIC ACID
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 936-87-8 |
|---|---|
| SMILES | CC1(C(C1C(=O)O)C(=O)O)C |
| InChIKey | MSPJNHHBNOLHOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid (CAS 936-87-8), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid.
Chemical Property Profile of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid
Property Insights of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid. Following Lipinski's Rule of Five, 3,3-Dimethyl-1,2-cyclopropanedicarboxylic 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 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid?
The CAS number of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid is 936-87-8.
What is the molecular formula of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid?
The molecular formula of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid is C7H10O4.
What is the molecular weight of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid?
The molecular weight of 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid is 158.06 g/mol.
Where can I buy 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid?
You can request a quote for 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.