Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
TL;DR: Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate (CAS 93744-22-0) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
Also Known As: ethyl N-1,3-benzodioxol-5-ylglycinate, ethyl 2-[(1,3-dioxaindan-5-yl)amino]acetate, Ethyl benzo[d][1,3]dioxol-5-ylglycinate, ethyl 2-(1,3-benzodioxol-5-ylamino)acetate, N-(3,4-methylendioxyphenyl)glycine ethyl ester
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 93744-22-0 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC2=C(C=C1)OCO2 |
| InChIKey | RBJSJGMEPLUKQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate (CAS 93744-22-0), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: ethyl 2-(1,3-benzodioxol-5-ylamino)acetate.
Chemical Property Profile of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
Property Insights of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate. With a topological polar surface area (TPSA) of 56.8 Ų, Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate 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 Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate?
The CAS number of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate is 93744-22-0.
What is the molecular formula of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate?
The molecular formula of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate is C11H13NO4.
What is the molecular weight of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate?
The molecular weight of Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate is 223.08 g/mol.
Where can I buy Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate?
You can request a quote for Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.