BAS 02590508
TL;DR: BAS 02590508 (CAS 477298-19-4) is a chemical compound with molecular formula C21H11FN4O4S and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-fluoro-5-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 02590508, (E)-3-((2-fluoro-5-nitrophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, F0837-0490, (2E)-3-[(2-fluoro-5-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(2-fluoro-5-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H11FN4O4S |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 4.94038 |
| Topological Polar Surface Area | 122.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.0485 |
| Heavy Atoms | 31 |
| Complexity | 1451.7848 |
Chemical Identifiers
| CAS Number | 477298-19-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/NC4=C(C=CC(=C4)[N+](=O)[O-])F)/C#N |
Product Overview
BAS 02590508 (CAS 477298-19-4), with molecular formula C21H11FN4O4S and molecular weight 434.05 g/mol. IUPAC: (E)-3-(2-fluoro-5-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 02590508
Property Insights of BAS 02590508
The XLogP value of 4.94038 indicates that BAS 02590508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590508. Following Lipinski's Rule of Five, BAS 02590508 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 02590508?
The CAS number of BAS 02590508 is 477298-19-4.
What is the molecular formula of BAS 02590508?
The molecular formula of BAS 02590508 is C21H11FN4O4S.
What is the molecular weight of BAS 02590508?
The molecular weight of BAS 02590508 is 434.05 g/mol.
Where can I buy BAS 02590508?
You can request a quote for BAS 02590508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590508?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.