BAS 02590157
TL;DR: BAS 02590157 (CAS 477296-54-1) is a chemical compound with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate
Also Known As: BAS 02590157, (Z)-ethyl 2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate, F0837-0281, ETHYL 2-{[(1Z)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-2-CYANOETH-1-EN-1-YL]AMINO}BENZOATE, ethyl 2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate
| Molecular Formula | C22H17N3O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 4.69208 |
| Topological Polar Surface Area | 93.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.09396 |
| Heavy Atoms | 30 |
| Complexity | 1163.1844 |
Chemical Identifiers
| CAS Number | 477296-54-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 02590157 (CAS 477296-54-1), with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol. IUPAC: ethyl 2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate.
Chemical Property Profile of BAS 02590157
Property Insights of BAS 02590157
The XLogP value of 4.69208 indicates that BAS 02590157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590157. Following Lipinski's Rule of Five, BAS 02590157 has 1 hydrogen bond donor(s) and 8 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 BAS 02590157?
The CAS number of BAS 02590157 is 477296-54-1.
What is the molecular formula of BAS 02590157?
The molecular formula of BAS 02590157 is C22H17N3O4S.
What is the molecular weight of BAS 02590157?
The molecular weight of BAS 02590157 is 419.09 g/mol.
Where can I buy BAS 02590157?
You can request a quote for BAS 02590157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590157?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.