(E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate (CAS 425373-05-3) is a chemical compound with molecular formula C25H29N3O4S3 and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate, 2-(diethylamino)ethyl 4-{4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamido}benzoate, 2-(diethylamino)ethyl 4-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoate, 2-(diethylamino)ethyl 4-{4-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazoli din-3-yl]butanoylamino}benzoate, 2-diethylaminoethyl 4-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoate
| Molecular Formula | C25H29N3O4S3 |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 4.8668 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 531.132 |
| Heavy Atoms | 35 |
| Complexity | 1064.136 |
Chemical Identifiers
| CAS Number | 425373-05-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S |
Product Overview
(E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate (CAS 425373-05-3), with molecular formula C25H29N3O4S3 and molecular weight 531.13 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoate.
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate
The XLogP value of 4.8668 indicates that (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate is 425373-05-3.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate is C25H29N3O4S3.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate is 531.13 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.