Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
TL;DR: Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate (CAS 5447-44-9) is a chemical compound with molecular formula C14H14O6 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
Also Known As: dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate, dimethyl (2E)-2-(benzo[1,3]dioxol-5-ylmethylidene)butanedioate
| Molecular Formula | C14H14O6 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.07904 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 5447-44-9 |
|---|---|
| SMILES | COC(=O)CC(=CC1=CC2=C(C=C1)OCO2)C(=O)OC |
| InChIKey | RVLAMCAJDQHBHI-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate (CAS 5447-44-9), with molecular formula C14H14O6 and molecular weight 278.08 g/mol. IUPAC: dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate.
Chemical Property Profile of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
Property Insights of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate has 0 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 Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate?
The CAS number of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate is 5447-44-9.
What is the molecular formula of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate?
The molecular formula of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate is C14H14O6.
What is the molecular weight of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate?
The molecular weight of Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate is 278.08 g/mol.
Where can I buy Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate?
You can request a quote for Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(1,3-benzodioxol-5-ylmethylidene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.