BAS 02590600
TL;DR: BAS 02590600 (CAS 477298-93-4) is a chemical compound with molecular formula C21H16F3N3OS and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: BAS 02590600, F0837-0582, (Z)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile, (Z)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile, (2Z)-2-[4-(4-ethoxyphenyl)(1,3-thiazol-2-yl)]-3-{[2-(trifluoromethyl)phenyl]am ino}prop-2-enenitrile
| Molecular Formula | C21H16F3N3OS |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 6.20418 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.09662 |
| Heavy Atoms | 29 |
| Complexity | 1050.0236 |
Chemical Identifiers
| CAS Number | 477298-93-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\NC3=CC=CC=C3C(F)(F)F)/C#N |
Product Overview
BAS 02590600 (CAS 477298-93-4), with molecular formula C21H16F3N3OS and molecular weight 415.10 g/mol. IUPAC: (Z)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of BAS 02590600
Property Insights of BAS 02590600
The XLogP value of 6.20418 indicates that BAS 02590600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, BAS 02590600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02590600 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02590600?
The CAS number of BAS 02590600 is 477298-93-4.
What is the molecular formula of BAS 02590600?
The molecular formula of BAS 02590600 is C21H16F3N3OS.
What is the molecular weight of BAS 02590600?
The molecular weight of BAS 02590600 is 415.10 g/mol.
Where can I buy BAS 02590600?
You can request a quote for BAS 02590600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590600?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.