![N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide structure](/static/products/445/445464-46-0.png)
N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide
TL;DR: N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide (CAS 445464-46-0) is a chemical compound with molecular formula C13H8F2N2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
Also Known As: N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide, N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide, N-(2,2-Difluoro-1,3-benzodioxol-5-yl)nicotinamide #, A2736/0116209, N-(2,2-difluorobenzo[d]1,3-dioxolan-5-yl)-3-pyridylcarboxamide
| Molecular Formula | C13H8F2N2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0503 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 445464-46-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F |
| InChIKey | PHLCOAFKSPJKII-UHFFFAOYSA-N |
Product Overview
N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide (CAS 445464-46-0), with molecular formula C13H8F2N2O3 and molecular weight 278.05 g/mol. IUPAC: N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide.
Chemical Property Profile of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide
Property Insights of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide. Following Lipinski's Rule of Five, N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide has 1 hydrogen bond donor(s) and 6 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 N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide?
The CAS number of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide is 445464-46-0.
What is the molecular formula of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide?
The molecular formula of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide is C13H8F2N2O3.
What is the molecular weight of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide?
The molecular weight of N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide is 278.05 g/mol.
Where can I buy N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide?
You can request a quote for N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.