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Benzo[d][1,3]dioxole-4-carboxamide
TL;DR: Benzo[d][1,3]dioxole-4-carboxamide (CAS 6944-42-9) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-4-carboxamide
Also Known As: Benzo[d][1,3]dioxole-4-carboxamide, 1,3-benzodioxole-4-carboxamide, benzo[1,3]dioxole-4-carboxamide, KST-1B7620, 0666AC
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6944-42-9 |
|---|---|
| SMILES | C1OC2=CC=CC(=C2O1)C(=O)N |
| InChIKey | UHJCPTUYASMZRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[d][1,3]dioxole-4-carboxamide (CAS 6944-42-9), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 1,3-benzodioxole-4-carboxamide.
Chemical Property Profile of Benzo[d][1,3]dioxole-4-carboxamide
Property Insights of Benzo[d][1,3]dioxole-4-carboxamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[d][1,3]dioxole-4-carboxamide. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[d][1,3]dioxole-4-carboxamide. Following Lipinski's Rule of Five, Benzo[d][1,3]dioxole-4-carboxamide 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 Benzo[d][1,3]dioxole-4-carboxamide?
The CAS number of Benzo[d][1,3]dioxole-4-carboxamide is 6944-42-9.
What is the molecular formula of Benzo[d][1,3]dioxole-4-carboxamide?
The molecular formula of Benzo[d][1,3]dioxole-4-carboxamide is C8H7NO3.
What is the molecular weight of Benzo[d][1,3]dioxole-4-carboxamide?
The molecular weight of Benzo[d][1,3]dioxole-4-carboxamide is 165.04 g/mol.
Where can I buy Benzo[d][1,3]dioxole-4-carboxamide?
You can request a quote for Benzo[d][1,3]dioxole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d][1,3]dioxole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d][1,3]dioxole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.