![(3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 structure](/static/products/958/958965-75-8.png)
(3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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
TL;DR: (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 (CAS 958965-75-8) is a chemical compound with molecular formula C26H19F2N3O4 and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-5'-fluoro-5-(4-fluorophenyl)-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: (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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, (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione, (3aR,6aS)-5'-fluoro-5-(4-fluorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
| Molecular Formula | C26H19F2N3O4 |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.13437 |
| Heavy Atoms | 35 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 958965-75-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)C5(N2)C6=C(C=CC(=C6)F)NC5=O)O |
| InChIKey | WUVJXONIDKVXES-YPHDTHBOSA-N |
Product Overview
(3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 (CAS 958965-75-8), with molecular formula C26H19F2N3O4 and molecular weight 475.13 g/mol. IUPAC: (3aR,6aS)-5'-fluoro-5-(4-fluorophenyl)-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 (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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
Property Insights of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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. Following Lipinski's Rule of Five, (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 has 3 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 (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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?
The CAS number of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 is 958965-75-8.
What is the molecular formula of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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?
The molecular formula of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 is C26H19F2N3O4.
What is the molecular weight of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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?
The molecular weight of (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 is 475.13 g/mol.
Where can I buy (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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?
You can request a quote for (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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?
Yes, KEHONG BIO provides custom synthesis services for (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.