3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
TL;DR: 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 714243-72-8) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide
Also Known As: 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide, 3-methyl-N-[5-(3-nitrobenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, 3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-isochroman-3-carboxamide, (3-methyl-1-oxoisochroman-3-yl)-N-{5-[(3-nitrophenyl)methyl](1,3-thiazol-2-yl) }carboxamide, 3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.7524 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 1158.8035 |
Chemical Identifiers
| CAS Number | 714243-72-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 714243-72-8), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: 3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
Property Insights of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
The XLogP value of 3.7524 indicates that 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide has 1 hydrogen bond donor(s) and 7 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-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The CAS number of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is 714243-72-8.
What is the molecular formula of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular formula of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is C21H17N3O5S.
What is the molecular weight of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular weight of 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is 423.09 g/mol.
Where can I buy 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
You can request a quote for 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.