![Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester structure](/static/products/3494/349442-63-3.webp)
Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester
TL;DR: Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester (CAS 349442-63-3) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetate
Also Known As: ylmethyl)amino]-2-oxo-, ethyl ester, Acetic acid, 2-[(1,3-benzodioxol-5-, Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester, BAS 03033896, ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.5946 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 471.5356 |
Chemical Identifiers
| CAS Number | 349442-63-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester (CAS 349442-63-3), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetate.
Chemical Property Profile of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester
Property Insights of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester
The XLogP value of 0.5946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester has 1 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 Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester?
The CAS number of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester is 349442-63-3.
What is the molecular formula of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester?
The molecular formula of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester is C12H13NO5.
What is the molecular weight of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester?
The molecular weight of Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester is 251.08 g/mol.
Where can I buy Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester?
You can request a quote for Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.