AB00116394-01
TL;DR: AB00116394-01 (CAS 54890-75-4) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
Also Known As: AB00116394-01, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(2E)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]acetamide, 2-(1,3-dioxoisoindolin-2-yl)-N-(5-methyl-4-(p-tolyl)thiazol-2-yl)acetamide, 2-(1,3-dioxobenzo[c]azolin-2-yl)-N-[5-methyl-4-(4-methylphenyl)(1,3-thiazol-2- yl)]acetamide
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.66164 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1067.3385 |
Chemical Identifiers
| CAS Number | 54890-75-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C |
Product Overview
AB00116394-01 (CAS 54890-75-4), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of AB00116394-01
Property Insights of AB00116394-01
The XLogP value of 3.66164 indicates that AB00116394-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116394-01. Following Lipinski's Rule of Five, AB00116394-01 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 AB00116394-01?
The CAS number of AB00116394-01 is 54890-75-4.
What is the molecular formula of AB00116394-01?
The molecular formula of AB00116394-01 is C21H17N3O3S.
What is the molecular weight of AB00116394-01?
The molecular weight of AB00116394-01 is 391.10 g/mol.
Where can I buy AB00116394-01?
You can request a quote for AB00116394-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116394-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116394-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.