BAS 02590531
TL;DR: BAS 02590531 (CAS 477298-39-8) is a chemical compound with molecular formula C19H11FN4O4S and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile
Also Known As: BAS 02590531, (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((4-fluoro-2-nitrophenyl)amino)acrylonitrile, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile
| Molecular Formula | C19H11FN4O4S |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 4.56268 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0485 |
| Heavy Atoms | 29 |
| Complexity | 1185.1925 |
Chemical Identifiers
| CAS Number | 477298-39-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C\NC4=C(C=C(C=C4)F)[N+](=O)[O-])/C#N |
Product Overview
BAS 02590531 (CAS 477298-39-8), with molecular formula C19H11FN4O4S and molecular weight 410.05 g/mol. IUPAC: (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile.
Chemical Property Profile of BAS 02590531
Property Insights of BAS 02590531
The XLogP value of 4.56268 indicates that BAS 02590531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590531. Following Lipinski's Rule of Five, BAS 02590531 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 02590531?
The CAS number of BAS 02590531 is 477298-39-8.
What is the molecular formula of BAS 02590531?
The molecular formula of BAS 02590531 is C19H11FN4O4S.
What is the molecular weight of BAS 02590531?
The molecular weight of BAS 02590531 is 410.05 g/mol.
Where can I buy BAS 02590531?
You can request a quote for BAS 02590531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590531?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.