4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
TL;DR: 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid (CAS 129791-55-5) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
Also Known As: p-(1,4-benzodioxane-6-carboxamido)benzoic acid, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid, 4-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)BENZOIC ACID, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)benzoic acid, 4-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]benzoic acid
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4083 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 723.81604 |
Chemical Identifiers
| CAS Number | 129791-55-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid (CAS 129791-55-5), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid.
Chemical Property Profile of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
Property Insights of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
The XLogP value of 2.4083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid. Following Lipinski's Rule of Five, 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid has 2 hydrogen bond donor(s) and 4 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 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid?
The CAS number of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid is 129791-55-5.
What is the molecular formula of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid?
The molecular formula of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid is C16H13NO5.
What is the molecular weight of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid?
The molecular weight of 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid is 299.08 g/mol.
Where can I buy 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid?
You can request a quote for 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.