3,4-Methylenedioxybenzylidenesuccinic acid
TL;DR: 3,4-Methylenedioxybenzylidenesuccinic acid (CAS 6938-41-6) is a chemical compound with molecular formula C12H10O6 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylidene)butanedioic acid
Also Known As: 3,4-methylenedioxybenzylidenesuccinic acid, 2-(1,3-benzodioxol-5-ylmethylidene)butanedioic acid, Butanedioic acid,2-(1,3-benzodioxol-5-ylmethylene)-
| Molecular Formula | C12H10O6 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.04774 |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 6938-41-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(CC(=O)O)C(=O)O |
| InChIKey | ISNFGRZDTWVIBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Methylenedioxybenzylidenesuccinic acid (CAS 6938-41-6), with molecular formula C12H10O6 and molecular weight 250.05 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)butanedioic acid.
Chemical Property Profile of 3,4-Methylenedioxybenzylidenesuccinic acid
Property Insights of 3,4-Methylenedioxybenzylidenesuccinic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Methylenedioxybenzylidenesuccinic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Methylenedioxybenzylidenesuccinic acid. Following Lipinski's Rule of Five, 3,4-Methylenedioxybenzylidenesuccinic acid has 2 hydrogen bond donor(s) and 6 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-Methylenedioxybenzylidenesuccinic acid?
The CAS number of 3,4-Methylenedioxybenzylidenesuccinic acid is 6938-41-6.
What is the molecular formula of 3,4-Methylenedioxybenzylidenesuccinic acid?
The molecular formula of 3,4-Methylenedioxybenzylidenesuccinic acid is C12H10O6.
What is the molecular weight of 3,4-Methylenedioxybenzylidenesuccinic acid?
The molecular weight of 3,4-Methylenedioxybenzylidenesuccinic acid is 250.05 g/mol.
Where can I buy 3,4-Methylenedioxybenzylidenesuccinic acid?
You can request a quote for 3,4-Methylenedioxybenzylidenesuccinic 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-Methylenedioxybenzylidenesuccinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Methylenedioxybenzylidenesuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.