Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate
TL;DR: Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate (CAS 304888-63-9) 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.
methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzoate
Also Known As: ChemDiv2_003386, BAS 02120950, UPCMLD0ENAT5741382:001, methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate, methyl 2-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 304888-63-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 |
| InChIKey | YPWDFHDOOAKSOA-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate (CAS 304888-63-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzoate.
Chemical Property Profile of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate
Property Insights of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate
The XLogP value of 3.0 indicates that Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-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 Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate?
The CAS number of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate is 304888-63-9.
What is the molecular formula of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate?
The molecular formula of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate is C17H15NO5.
What is the molecular weight of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate?
The molecular weight of Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate is 313.10 g/mol.
Where can I buy Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate?
You can request a quote for Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-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 Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.