![2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone structure](/static/products/139/139110-85-3.png)
2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone
TL;DR: 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone (CAS 139110-85-3) is a chemical compound with molecular formula C24H19BrFN3O4 and molecular weight 511.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromo-2-fluorophenyl)methyl]-1'-(cyclopentylideneamino)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Also Known As: 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone, 2-[(4-bromo-2-fluorophenyl)methyl]-1'-(cyclopentylideneamino)-2,3-dihydro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone, 2-[(4-Bromo-2-fluorophenyl)methyl]-1a(2)-(cyclopentylideneamino)spiro[isoquinoline-4(1H),3a(2)-pyrrolidine]-1,2a(2),3,5a(2)(2H)-tetrone
| Molecular Formula | C24H19BrFN3O4 |
|---|---|
| Molecular Weight | 511.05 g/mol |
| LogP | 3.6975 |
| Topological Polar Surface Area | 87.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.0543 |
| Heavy Atoms | 33 |
| Complexity | 1252.0205 |
Chemical Identifiers
| CAS Number | 139110-85-3 |
|---|---|
| SMILES | C1CCC(=NN2C(=O)CC3(C2=O)C4=CC=CC=C4C(=O)N(C3=O)CC5=C(C=C(C=C5)Br)F)C1 |
Product Overview
2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone (CAS 139110-85-3), with molecular formula C24H19BrFN3O4 and molecular weight 511.05 g/mol. IUPAC: 2-[(4-bromo-2-fluorophenyl)methyl]-1'-(cyclopentylideneamino)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone.
Chemical Property Profile of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone
Property Insights of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone
The XLogP value of 3.6975 indicates that 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone. Following Lipinski's Rule of Five, 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone 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 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone?
The CAS number of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone is 139110-85-3.
What is the molecular formula of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone?
The molecular formula of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone is C24H19BrFN3O4.
What is the molecular weight of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone?
The molecular weight of 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone is 511.05 g/mol.
Where can I buy 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone?
You can request a quote for 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2-fluorobenzyl)-1 -[(cyclopentylidene)amino]spiro[isoquinoline-4(1H),3 -pyrrolidine]-1,2 ,3,5 (2H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.