1,3-Benzodioxole-5-carboxamide
TL;DR: 1,3-Benzodioxole-5-carboxamide (CAS 5661-47-2) 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-5-carboxamide
Also Known As: 1,3-benzodioxole-5-carboxamide, Piperonylamide, Benzo[d][1,3]dioxole-5-carboxamide, NIFURTHIAZOLE, 2H-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.5 |
| 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 | 5661-47-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)N |
| InChIKey | HUSYTLMIRXITQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-carboxamide (CAS 5661-47-2), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxamide
Property Insights of 1,3-Benzodioxole-5-carboxamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboxamide. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-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 1,3-Benzodioxole-5-carboxamide?
The CAS number of 1,3-Benzodioxole-5-carboxamide is 5661-47-2.
What is the molecular formula of 1,3-Benzodioxole-5-carboxamide?
The molecular formula of 1,3-Benzodioxole-5-carboxamide is C8H7NO3.
What is the molecular weight of 1,3-Benzodioxole-5-carboxamide?
The molecular weight of 1,3-Benzodioxole-5-carboxamide is 165.04 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxamide?
You can request a quote for 1,3-Benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.