BAS 00282613
TL;DR: BAS 00282613 (CAS 5601-85-4) is a chemical compound with molecular formula C22H12BrCl2N3O3 and molecular weight 514.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
Also Known As: BAS 00282613, 3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine, (1E)-3-(4-Bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
| Molecular Formula | C22H12BrCl2N3O3 |
|---|---|
| Molecular Weight | 514.94 g/mol |
| LogP | 7.888 |
| Topological Polar Surface Area | 81.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.9439 |
| Heavy Atoms | 31 |
| Complexity | 1365.6276 |
Chemical Identifiers
| CAS Number | 5601-85-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC=NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Cl)Cl)[N+](=O)[O-])Br |
Product Overview
BAS 00282613 (CAS 5601-85-4), with molecular formula C22H12BrCl2N3O3 and molecular weight 514.94 g/mol. IUPAC: 3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine.
Chemical Property Profile of BAS 00282613
Property Insights of BAS 00282613
The XLogP value of 7.888 indicates that BAS 00282613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00282613. Following Lipinski's Rule of Five, BAS 00282613 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00282613?
The CAS number of BAS 00282613 is 5601-85-4.
What is the molecular formula of BAS 00282613?
The molecular formula of BAS 00282613 is C22H12BrCl2N3O3.
What is the molecular weight of BAS 00282613?
The molecular weight of BAS 00282613 is 514.94 g/mol.
Where can I buy BAS 00282613?
You can request a quote for BAS 00282613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00282613?
Yes, KEHONG BIO provides custom synthesis services for BAS 00282613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.