BAS 00384722
TL;DR: BAS 00384722 (CAS 5891-34-9) is a chemical compound with molecular formula C17H8BrClN2O6 and molecular weight 449.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00384722, (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one, (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one, (Z)-4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-2-(4-chloro-3-nitrophenyl)oxazol-5(4H)-one, 4-[(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))methylene]-2-(4-chloro-3-nitrophenyl )-1,3-oxazolin-5-one
| Molecular Formula | C17H8BrClN2O6 |
|---|---|
| Molecular Weight | 449.93 g/mol |
| LogP | 4.0839 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.9254 |
| Heavy Atoms | 27 |
| Complexity | 1065.6294 |
Chemical Identifiers
| CAS Number | 5891-34-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)OC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Br |
Product Overview
BAS 00384722 (CAS 5891-34-9), with molecular formula C17H8BrClN2O6 and molecular weight 449.93 g/mol. IUPAC: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of BAS 00384722
Property Insights of BAS 00384722
The XLogP value of 4.0839 indicates that BAS 00384722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00384722. Following Lipinski's Rule of Five, BAS 00384722 has 0 hydrogen bond donor(s) and 7 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 00384722?
The CAS number of BAS 00384722 is 5891-34-9.
What is the molecular formula of BAS 00384722?
The molecular formula of BAS 00384722 is C17H8BrClN2O6.
What is the molecular weight of BAS 00384722?
The molecular weight of BAS 00384722 is 449.93 g/mol.
Where can I buy BAS 00384722?
You can request a quote for BAS 00384722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00384722?
Yes, KEHONG BIO provides custom synthesis services for BAS 00384722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.