2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid
TL;DR: 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid (CAS 65609-29-2) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
Also Known As: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid, piperonylbutanedioic acid, 2-piperonylsuccinic acid, 2-[(2H-1,3-benzodioxol-5-yl)methyl]butanedioic acid, HCA 42027
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 65609-29-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(CC(=O)O)C(=O)O |
| InChIKey | VXIGMHUBZXMCIU-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid (CAS 65609-29-2), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid
Property Insights of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic 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 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid is 65609-29-2.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid is C12H12O6.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid is 252.06 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.