C26H20BrN3O4
TL;DR: C26H20BrN3O4 (CAS 1014026-32-4) is a chemical compound with molecular formula C26H20BrN3O4 and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,3aR,6aS)-5-(4-bromophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (1S,3R,3aR,6aS)-5-(4-bromophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, (1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-3'-(4-hydroxybenzyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
| Molecular Formula | C26H20BrN3O4 |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 3.3224 |
| Topological Polar Surface Area | 98.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.0637 |
| Heavy Atoms | 34 |
| Complexity | 1340.9115 |
Chemical Identifiers
| CAS Number | 1014026-32-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N2 |
Product Overview
C26H20BrN3O4 (CAS 1014026-32-4), with molecular formula C26H20BrN3O4 and molecular weight 517.06 g/mol. IUPAC: (1S,3R,3aR,6aS)-5-(4-bromophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
Chemical Property Profile of C26H20BrN3O4
Property Insights of C26H20BrN3O4
The XLogP value of 3.3224 indicates that C26H20BrN3O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H20BrN3O4. Following Lipinski's Rule of Five, C26H20BrN3O4 has 3 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 C26H20BrN3O4?
The CAS number of C26H20BrN3O4 is 1014026-32-4.
What is the molecular formula of C26H20BrN3O4?
The molecular formula of C26H20BrN3O4 is C26H20BrN3O4.
What is the molecular weight of C26H20BrN3O4?
The molecular weight of C26H20BrN3O4 is 517.06 g/mol.
Where can I buy C26H20BrN3O4?
You can request a quote for C26H20BrN3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H20BrN3O4?
Yes, KEHONG BIO provides custom synthesis services for C26H20BrN3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.