1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide
TL;DR: 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide (CAS 853890-00-3) is a chemical compound with molecular formula C23H19NO3 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
Also Known As: 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide, F1787-0002, N-p-tolyl-1-oxo-3-phenyl-6-isochromancarboxamide, N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide, N-(4-methylphenyl)(1-oxo-3-phenylisochroman-6-yl)carboxamide
| Molecular Formula | C23H19NO3 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.70152 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1365 |
| Heavy Atoms | 27 |
| Complexity | 993.89185 |
Chemical Identifiers
| CAS Number | 853890-00-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4 |
Product Overview
1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide (CAS 853890-00-3), with molecular formula C23H19NO3 and molecular weight 357.14 g/mol. IUPAC: N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
Chemical Property Profile of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide
Property Insights of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide
The XLogP value of 4.70152 indicates that 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-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, 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-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 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide?
The CAS number of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide is 853890-00-3.
What is the molecular formula of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide?
The molecular formula of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide is C23H19NO3.
What is the molecular weight of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide?
The molecular weight of 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide is 357.14 g/mol.
Where can I buy 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide?
You can request a quote for 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-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-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-3-phenyl-N-(p-tolyl)isochroman-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.