Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
TL;DR: Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate (CAS 6148-38-5) is a chemical compound with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate
Also Known As: starbld0034166, BAS 04357907, ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate, AB00685750-01, F1199-0089
| Molecular Formula | C14H15N3O4S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 1.1486 |
| Topological Polar Surface Area | 110.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07834 |
| Heavy Atoms | 22 |
| Complexity | 627.48004 |
Chemical Identifiers
| CAS Number | 6148-38-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N |
Product Overview
Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate (CAS 6148-38-5), with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol. IUPAC: ethyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
Property Insights of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
The XLogP value of 1.1486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate. The TPSA of 110.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate has 2 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-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The CAS number of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is 6148-38-5.
What is the molecular formula of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The molecular formula of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is C14H15N3O4S.
What is the molecular weight of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The molecular weight of Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is 321.08 g/mol.
Where can I buy Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
You can request a quote for Ethyl 4-(2-(2-imino-4-oxothiazolidin-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-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.