ChemDiv3_006666
TL;DR: ChemDiv3_006666 (CAS 780775-15-7) is a chemical compound with molecular formula C27H28FN3O5 and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-methyl-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
Also Known As: ChemDiv3_006666, 3'-(3-fluoro-4-methylbenzoyl)-4'-hydroxy-1-methyl-1'-[3-(morpholin-4-yl)propyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione, 4'-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-methyl-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
| Molecular Formula | C27H28FN3O5 |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 2.40872 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.2013 |
| Heavy Atoms | 36 |
| Complexity | 1285.9203 |
Chemical Identifiers
| CAS Number | 780775-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=C2C(=O)C(=O)N(C23C4=CC=CC=C4N(C3=O)C)CCCN5CCOCC5)O)F |
Product Overview
ChemDiv3_006666 (CAS 780775-15-7), with molecular formula C27H28FN3O5 and molecular weight 493.20 g/mol. IUPAC: 4'-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-methyl-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione.
Chemical Property Profile of ChemDiv3_006666
Property Insights of ChemDiv3_006666
The XLogP value of 2.40872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006666. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006666. Following Lipinski's Rule of Five, ChemDiv3_006666 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_006666?
The CAS number of ChemDiv3_006666 is 780775-15-7.
What is the molecular formula of ChemDiv3_006666?
The molecular formula of ChemDiv3_006666 is C27H28FN3O5.
What is the molecular weight of ChemDiv3_006666?
The molecular weight of ChemDiv3_006666 is 493.20 g/mol.
Where can I buy ChemDiv3_006666?
You can request a quote for ChemDiv3_006666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006666?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.