N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide (CAS 735320-87-3) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
Also Known As: 3-Pyridinecarboxamide,N-1,3-benzodioxol-5-yl-,1-oxide, N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.301 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 642.2904 |
Chemical Identifiers
| CAS Number | 735320-87-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C[N+](=CC=C3)[O-] |
Product Overview
N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide (CAS 735320-87-3), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
The XLogP value of 1.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide 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)-1-oxidopyridin-1-ium-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide is 735320-87-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide is C13H10N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide is 258.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide 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)-1-oxidopyridin-1-ium-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.