N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
TL;DR: N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 880415-96-3) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: F1736-0800, N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide, N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide, N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 3.76252 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 1011.92114 |
Chemical Identifiers
| CAS Number | 880415-96-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3CC4=CC=CC=C4C(=O)O3 |
Product Overview
N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 880415-96-3), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
Property Insights of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide
The XLogP value of 3.76252 indicates that N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide. Following Lipinski's Rule of Five, N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The CAS number of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is 880415-96-3.
What is the molecular formula of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular formula of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is C21H18N2O3S.
What is the molecular weight of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular weight of N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide is 378.10 g/mol.
Where can I buy N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
You can request a quote for N-(5-(3-methylbenzyl)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 N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(3-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.