C26H17BrClN3O3
TL;DR: C26H17BrClN3O3 (CAS 1212348-64-5) is a chemical compound with molecular formula C26H17BrClN3O3 and molecular weight 533.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C26H17BrClN3O3 |
|---|---|
| Molecular Weight | 533.01 g/mol |
| LogP | 5.7018 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.01416 |
| Heavy Atoms | 34 |
| Complexity | 1430.6975 |
Chemical Identifiers
| CAS Number | 1212348-64-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC6=CC=CC=C6N=C5Cl |
Product Overview
C26H17BrClN3O3 (CAS 1212348-64-5), with molecular formula C26H17BrClN3O3 and molecular weight 533.01 g/mol. IUPAC: 5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of C26H17BrClN3O3
Property Insights of C26H17BrClN3O3
The XLogP value of 5.7018 indicates that C26H17BrClN3O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H17BrClN3O3. Following Lipinski's Rule of Five, C26H17BrClN3O3 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 C26H17BrClN3O3?
The CAS number of C26H17BrClN3O3 is 1212348-64-5.
What is the molecular formula of C26H17BrClN3O3?
The molecular formula of C26H17BrClN3O3 is C26H17BrClN3O3.
What is the molecular weight of C26H17BrClN3O3?
The molecular weight of C26H17BrClN3O3 is 533.01 g/mol.
Where can I buy C26H17BrClN3O3?
You can request a quote for C26H17BrClN3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H17BrClN3O3?
Yes, KEHONG BIO provides custom synthesis services for C26H17BrClN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.