3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide
TL;DR: 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide (CAS 801227-72-5) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
Also Known As: BAS 09687599, 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide, 3-methyl-1-oxo-N-(o-tolyl)isochroman-3-carboxamide, (3-methyl-1-oxoisochroman-3-yl)-N-(2-methylphenyl)carboxamide, 3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.10532 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 753.50244 |
Chemical Identifiers
| CAS Number | 801227-72-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C |
Product Overview
3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide (CAS 801227-72-5), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide
Property Insights of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide
The XLogP value of 3.10532 indicates that 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide 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 o-tolylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide 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 o-tolylamide?
The CAS number of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide is 801227-72-5.
What is the molecular formula of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide?
The molecular formula of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide is C18H17NO3.
What is the molecular weight of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide?
The molecular weight of 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide is 295.12 g/mol.
Where can I buy 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide?
You can request a quote for 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide 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 o-tolylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-oxo-isochroman-3-carboxylic acid o-tolylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.