BAS 02590624
TL;DR: BAS 02590624 (CAS 477299-16-4) is a chemical compound with molecular formula C19H10ClF3N4O2S and molecular weight 450.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 02590624, (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H10ClF3N4O2S |
|---|---|
| Molecular Weight | 450.02 g/mol |
| LogP | 6.36708 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0165 |
| Heavy Atoms | 30 |
| Complexity | 1167.758 |
Chemical Identifiers
| CAS Number | 477299-16-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)Cl)C(F)(F)F)/C#N)[N+](=O)[O-] |
Product Overview
BAS 02590624 (CAS 477299-16-4), with molecular formula C19H10ClF3N4O2S and molecular weight 450.02 g/mol. IUPAC: (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 02590624
Property Insights of BAS 02590624
The XLogP value of 6.36708 indicates that BAS 02590624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590624. Following Lipinski's Rule of Five, BAS 02590624 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02590624?
The CAS number of BAS 02590624 is 477299-16-4.
What is the molecular formula of BAS 02590624?
The molecular formula of BAS 02590624 is C19H10ClF3N4O2S.
What is the molecular weight of BAS 02590624?
The molecular weight of BAS 02590624 is 450.02 g/mol.
Where can I buy BAS 02590624?
You can request a quote for BAS 02590624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590624?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.