异烟酸酐
TL;DR: 异烟酸酐 (CAS 7082-71-5) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异烟酸酐
pyridine-4-carbonyl pyridine-4-carboxylate
Also Known As: Isonicotinic anhydride, Isonictinic anhydride, pyridine-4-carbonyl pyridine-4-carboxylate, isonicotinic acid anhydride, ISONICOTINICANHYDRIDE
| Molecular Formula | C12H8N2O3 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0535 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 7082-71-5 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2 |
| InChIKey | ORBIGZZHMAJXAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异烟酸酐 (CAS 7082-71-5), with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol. IUPAC: pyridine-4-carbonyl pyridine-4-carboxylate.
Chemical Property Profile of 异烟酸酐
Property Insights of 异烟酸酐
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异烟酸酐. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 异烟酸酐. Following Lipinski's Rule of Five, 异烟酸酐 has 0 hydrogen bond donor(s) and 5 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 异烟酸酐?
The CAS number of 异烟酸酐 is 7082-71-5.
What is the molecular formula of 异烟酸酐?
The molecular formula of 异烟酸酐 is C12H8N2O3.
What is the molecular weight of 异烟酸酐?
The molecular weight of 异烟酸酐 is 228.05 g/mol.
Where can I buy 异烟酸酐?
You can request a quote for 异烟酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟酸酐?
Yes, KEHONG BIO provides custom synthesis services for 异烟酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.