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2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
TL;DR: 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 420096-90-8) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Also Known As: ChemDiv1_008585, BAS 02975341, 2-[tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate, 2-(tert-butyl(methyl)amino)ethyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.3449 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 507.4887 |
Chemical Identifiers
| CAS Number | 420096-90-8 |
|---|---|
| SMILES | CC(C)(C)N(C)CCOC(=O)C1=CC2=C(C=C1)OCCO2 |
Product Overview
2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 420096-90-8), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: 2-[tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
Chemical Property Profile of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Property Insights of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
The XLogP value of 2.3449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. With a topological polar surface area (TPSA) of 48.0 Ų, 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-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-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The CAS number of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 420096-90-8.
What is the molecular formula of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular formula of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is C16H23NO4.
What is the molecular weight of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular weight of 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 293.16 g/mol.
Where can I buy 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
You can request a quote for 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[Tert-butyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.