N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide (CAS 302953-28-2) is a chemical compound with molecular formula C13H9BrN2O3 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-5-bromopyridine-3-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide, N-(1,3-benzodioxol-5-yl)-5-bromopyridine-3-carboxamide, N-(benzo[d][1,3]dioxol-5-yl)-5-bromonicotinamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(5-bromo(3-pyridyl))carboxamide
| Molecular Formula | C13H9BrN2O3 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.97964 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 302953-28-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br |
| InChIKey | UNFNSXQZQLNUTC-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide (CAS 302953-28-2), with molecular formula C13H9BrN2O3 and molecular weight 319.98 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-5-bromopyridine-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide has 1 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 N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide is 302953-28-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide is C13H9BrN2O3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide is 319.98 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.