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Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate
TL;DR: Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate (CAS 349441-07-2) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxole-5-carbonylamino)benzoate
Also Known As: ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate, ethyl 3-(1,3-benzodioxole-5-carbonylamino)benzoate, BAS 03033699, ethyl 3-(2H-1,3-benzodioxole-5-amido)benzoate, AN-652/42062448
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 349441-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | IAQBGUXRXJBWLQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate (CAS 349441-07-2), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: ethyl 3-(1,3-benzodioxole-5-carbonylamino)benzoate.
Chemical Property Profile of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate
Property Insights of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate 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 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate?
The CAS number of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate is 349441-07-2.
What is the molecular formula of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate?
The molecular formula of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate is C17H15NO5.
What is the molecular weight of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate?
The molecular weight of Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate is 313.10 g/mol.
Where can I buy Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate?
You can request a quote for Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.