![ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate structure](/static/products/831/831213-69-5.png)
ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate
TL;DR: ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate (CAS 831213-69-5) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
Also Known As: ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate, ethyl 2-(2-(4-(1,3-dioxoisoindolin-2-yl)butanamido)thiazol-4-yl)acetate, ethyl 2-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
| Molecular Formula | C19H19N3O5S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.2636 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.10455 |
| Heavy Atoms | 28 |
| Complexity | 888.79785 |
Chemical Identifiers
| CAS Number | 831213-69-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate (CAS 831213-69-5), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: ethyl 2-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate
Property Insights of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate
The XLogP value of 2.2636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate. Following Lipinski's Rule of Five, ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate 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 ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate?
The CAS number of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate is 831213-69-5.
What is the molecular formula of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate?
The molecular formula of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate is C19H19N3O5S.
What is the molecular weight of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate?
The molecular weight of ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate is 401.10 g/mol.
Where can I buy ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate?
You can request a quote for ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.