BAS 00583081
TL;DR: BAS 00583081 (CAS 306280-19-3) is a chemical compound with molecular formula C24H15F3N2O8 and molecular weight 516.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: BAS 00583081, ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate, 5-(2,6-Dinitro-4-trifluoromethyl-phenoxy)-2-phenyl-benzofuran-3-carboxylic acid, ethyl 5-(2,6-dinitro-4-(trifluoromethyl)phenoxy)-2-phenylbenzofuran-3-carboxylate, ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenylbenzo[b]furan-3-carbo xylate
| Molecular Formula | C24H15F3N2O8 |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 6.904 |
| Topological Polar Surface Area | 134.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.07806 |
| Heavy Atoms | 37 |
| Complexity | 1495.5267 |
Chemical Identifiers
| CAS Number | 306280-19-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00583081 (CAS 306280-19-3), with molecular formula C24H15F3N2O8 and molecular weight 516.08 g/mol. IUPAC: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of BAS 00583081
Property Insights of BAS 00583081
The XLogP value of 6.904 indicates that BAS 00583081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00583081. Following Lipinski's Rule of Five, BAS 00583081 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00583081?
The CAS number of BAS 00583081 is 306280-19-3.
What is the molecular formula of BAS 00583081?
The molecular formula of BAS 00583081 is C24H15F3N2O8.
What is the molecular weight of BAS 00583081?
The molecular weight of BAS 00583081 is 516.08 g/mol.
Where can I buy BAS 00583081?
You can request a quote for BAS 00583081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00583081?
Yes, KEHONG BIO provides custom synthesis services for BAS 00583081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.