Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate
TL;DR: Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate (CAS 195604-29-6) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-amino-4-oxo-1,3-thiazol-5-yl)methyl]benzoate
Also Known As: IFLab1_006152, IFLab2_000182, ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate, IDI1_019208, AB00686169-01
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.3625 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 525.1948 |
Chemical Identifiers
| CAS Number | 195604-29-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N=C(S2)N |
Product Overview
Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate (CAS 195604-29-6), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl 4-[(2-amino-4-oxo-1,3-thiazol-5-yl)methyl]benzoate.
Chemical Property Profile of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate
Property Insights of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate
The XLogP value of 1.3625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate 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 Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate?
The CAS number of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate is 195604-29-6.
What is the molecular formula of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate?
The molecular formula of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate is C13H14N2O3S.
What is the molecular weight of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate?
The molecular weight of Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate is 278.07 g/mol.
Where can I buy Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate?
You can request a quote for Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)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-imino-4-oxothiazolidin-5-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.