Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
TL;DR: Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate (CAS 876900-85-5) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
Also Known As: ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate, BAS 12330185, F3038-0011, AT-057/43468148, ethyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.4419 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 701.4947 |
Chemical Identifiers
| CAS Number | 876900-85-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)CC=C |
Product Overview
Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate (CAS 876900-85-5), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
Property Insights of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
The XLogP value of 2.4419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate has 1 hydrogen bond donor(s) and 6 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 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The CAS number of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is 876900-85-5.
What is the molecular formula of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The molecular formula of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is C17H18N2O5S.
What is the molecular weight of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The molecular weight of Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is 362.09 g/mol.
Where can I buy Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
You can request a quote for Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.