N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide
TL;DR: N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide (CAS 400063-89-0) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
Also Known As: N-(3-oxohydroisobenzofuran-5-yl)-4-pyridylcarboxamide, N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide, A2516/0106927, N-(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)isonicotinamide #, N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 400063-89-0 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)NC(=O)C3=CC=NC=C3)C(=O)O1 |
| InChIKey | LXWLQAKUNRCFKC-UHFFFAOYSA-N |
Product Overview
N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide (CAS 400063-89-0), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide
Property Insights of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide. Following Lipinski's Rule of Five, N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide 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-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide?
The CAS number of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide is 400063-89-0.
What is the molecular formula of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide?
The molecular formula of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide is C14H10N2O3.
What is the molecular weight of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide?
The molecular weight of N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide is 254.07 g/mol.
Where can I buy N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide?
You can request a quote for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.