2,3-二氢-1,4-苯并二噁英-2-甲酰胺
TL;DR: 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 (CAS 33070-04-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-1,4-苯并二噁英-2-甲酰胺
2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: 2,3-dihydro-1,4-benzodioxine-2-carboxamide, 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide, 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid amide, 2,3-dihydro-1,4-benzodioxine-3-carboxamide, 1,4-benzodioxane-2-carboxamide
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 33070-04-1 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)N |
| InChIKey | LIQWNOWUUZXEPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氢-1,4-苯并二噁英-2-甲酰胺 (CAS 33070-04-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺
Property Insights of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-1,4-苯并二噁英-2-甲酰胺. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-二氢-1,4-苯并二噁英-2-甲酰胺. Following Lipinski's Rule of Five, 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 has 1 hydrogen bond donor(s) and 3 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 2,3-二氢-1,4-苯并二噁英-2-甲酰胺?
The CAS number of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 is 33070-04-1.
What is the molecular formula of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺?
The molecular formula of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 is C9H9NO3.
What is the molecular weight of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺?
The molecular weight of 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 is 179.06 g/mol.
Where can I buy 2,3-二氢-1,4-苯并二噁英-2-甲酰胺?
You can request a quote for 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-1,4-苯并二噁英-2-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-1,4-苯并二噁英-2-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.