RefChem:1063513
TL;DR: RefChem:1063513 (CAS 33391-22-9) is a chemical compound with molecular formula C27H30FN3O and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl-methylamino]-3-phenylindol-2-one
Also Known As: 5-22-13-00146 (Beilstein Handbook Reference), 2-Indolinone, 3-(3-(dimethylamino)propyl)-1-((o-fluorobenzyl)methylamino)-3-phenyl-, 3-(3-(Dimethylamino)propyl)-1-((o-fluorobenzyl)methylamino)-3-phenyl-2-indolinone, 3-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl-methylamino]-3-phenylindol-2-one, 3-[3-(Dimethylamino)propyl]-1-{[(2-fluorophenyl)methyl](methyl)amino}-3-phenyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C27H30FN3O |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.2373 |
| Heavy Atoms | 32 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 33391-22-9 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3F)C4=CC=CC=C4 |
| InChIKey | CHWRTGWZQXNMIQ-UHFFFAOYSA-N |
Product Overview
RefChem:1063513 (CAS 33391-22-9), with molecular formula C27H30FN3O and molecular weight 431.24 g/mol. IUPAC: 3-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl-methylamino]-3-phenylindol-2-one.
Chemical Property Profile of RefChem:1063513
Property Insights of RefChem:1063513
The XLogP value of 5.1 indicates that RefChem:1063513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:1063513 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063513 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063513?
The CAS number of RefChem:1063513 is 33391-22-9.
What is the molecular formula of RefChem:1063513?
The molecular formula of RefChem:1063513 is C27H30FN3O.
What is the molecular weight of RefChem:1063513?
The molecular weight of RefChem:1063513 is 431.24 g/mol.
Where can I buy RefChem:1063513?
You can request a quote for RefChem:1063513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063513?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.