3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide
TL;DR: 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide (CAS 801227-79-2) is a chemical compound with molecular formula C17H13Cl2NO3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dichlorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Also Known As: BAS 09687628, 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide, N-(2,3-dichlorophenyl)-3-methyl-1-oxoisochroman-3-carboxamide, N-(2,3-dichlorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide, N-(2,3-dichlorophenyl)-3-methyl-1-oxo-isochromane-3-carboxamide
| Molecular Formula | C17H13Cl2NO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 4.1037 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.02725 |
| Heavy Atoms | 23 |
| Complexity | 806.17554 |
Chemical Identifiers
| CAS Number | 801227-79-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C(=CC=C3)Cl)Cl |
Product Overview
3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide (CAS 801227-79-2), with molecular formula C17H13Cl2NO3 and molecular weight 349.03 g/mol. IUPAC: N-(2,3-dichlorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide
Property Insights of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide
The XLogP value of 4.1037 indicates that 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide has 1 hydrogen bond donor(s) and 3 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 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide?
The CAS number of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide is 801227-79-2.
What is the molecular formula of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide?
The molecular formula of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide is C17H13Cl2NO3.
What is the molecular weight of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide?
The molecular weight of 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide is 349.03 g/mol.
Where can I buy 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide?
You can request a quote for 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-oxo-isochroman-3-carboxylic acid (2,3-dichloro-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.