2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate
TL;DR: 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate (CAS 431906-94-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate
Also Known As: 2-(dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate, AO-365/40892139, 2-dimethylaminoethyl 1,3-benzodioxole-5-carboxylate, 2-(dimethylamino)ethyl benzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.1337 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 416.9667 |
Chemical Identifiers
| CAS Number | 431906-94-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate (CAS 431906-94-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 2-(dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate
Property Insights of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate
The XLogP value of 1.1337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate. With a topological polar surface area (TPSA) of 48.0 Ų, 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate has 0 hydrogen bond donor(s) and 5 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-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate?
The CAS number of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate is 431906-94-4.
What is the molecular formula of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate is C12H15NO4.
What is the molecular weight of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate is 237.10 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.