1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide
TL;DR: 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide (CAS 354550-89-3) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-N-(pyridin-3-ylmethyl)isochromene-3-carboxamide
Also Known As: 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide, 1-oxo-N-(pyridin-3-ylmethyl)isochromene-3-carboxamide, F3436-0466, 1-oxo-N-(pyridin-3-ylmethyl)-1H-isochromene-3-carboxamide, 1-oxo-N-[(pyridin-3-yl)methyl]-1H-isochromene-3-carboxamide
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.118 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 840.76996 |
Chemical Identifiers
| CAS Number | 354550-89-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(OC2=O)C(=O)NCC3=CN=CC=C3 |
Product Overview
1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide (CAS 354550-89-3), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 1-oxo-N-(pyridin-3-ylmethyl)isochromene-3-carboxamide.
Chemical Property Profile of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide
Property Insights of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide
The XLogP value of 2.118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-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 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide?
The CAS number of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide is 354550-89-3.
What is the molecular formula of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide?
The molecular formula of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide is C16H12N2O3.
What is the molecular weight of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide?
The molecular weight of 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide is 280.08 g/mol.
Where can I buy 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide?
You can request a quote for 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-N-(3-pyridinylmethyl)-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.