Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
TL;DR: Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate (CAS 876900-83-3) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
Also Known As: BAS 12330184, VU0507780-1, F3038-0010, methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate, methyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.0518 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 686.21313 |
Chemical Identifiers
| CAS Number | 876900-83-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)CC=C |
Product Overview
Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate (CAS 876900-83-3), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: methyl 4-[[2-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
Property Insights of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate
The XLogP value of 2.0518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 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 Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The CAS number of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is 876900-83-3.
What is the molecular formula of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The molecular formula of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is C16H16N2O5S.
What is the molecular weight of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
The molecular weight of Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate is 348.08 g/mol.
Where can I buy Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
You can request a quote for Methyl 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 Methyl 4-(2-(3-allyl-2,4-dioxothiazolidin-5-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.