N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
TL;DR: N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CAS 835898-45-8) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Also Known As: F1762-0577, N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide, N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide, N-(3-chloro-4-tolyl)-3-methyl-1-oxo-3-isochromancarboxamide, N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.75872 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 802.60376 |
Chemical Identifiers
| CAS Number | 835898-45-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)Cl |
Product Overview
N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CAS 835898-45-8), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Property Insights of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
The XLogP value of 3.75872 indicates that N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide 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 N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The CAS number of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is 835898-45-8.
What is the molecular formula of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The molecular formula of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is C18H16ClNO3.
What is the molecular weight of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The molecular weight of N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is 329.08 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
You can request a quote for N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-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 N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.