N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
TL;DR: N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 618392-69-1) 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.
N-(4-ethylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: TimTec1_007623, IDI1_033277, BAS 07776995, N-(4-ethylphenyl)-1-oxoisochroman-3-carboxamide, N-(4-Ethylphenyl)-1-oxoisochromane-3-carboxamide
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9692 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 706.52716 |
Chemical Identifiers
| CAS Number | 618392-69-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 |
Product Overview
N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 618392-69-1), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: N-(4-ethylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Property Insights of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
The XLogP value of 2.9692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-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-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The CAS number of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 618392-69-1.
What is the molecular formula of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular formula of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is C18H17NO3.
What is the molecular weight of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular weight of N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 295.12 g/mol.
Where can I buy N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
You can request a quote for N-(4-ethylphenyl)-1-oxo-3,4-dihydro-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 N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.