RefChem:262076
TL;DR: RefChem:262076 (CAS 33585-28-3) is a chemical compound with molecular formula C30H36ClN3O and molecular weight 489.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzyl(methyl)amino]-3-phenyl-3-(3-piperidin-1-ium-1-ylpropyl)indol-2-one chloride
Also Known As: 2-Indolinone, 1-(benzylmethylamino)-3-phenyl-3-(3-piperidinopropyl)-, monohydrochloride, 1-(Benzylmethylamino)-3-phenyl-3-(3-piperidinopropyl)-2-indolinone hydrochloride, 2H-Indol-2-one, 1,3-dihydro-1-(methyl(phenyl)amino)-3-phenyl-3-(3-(1-piperidinyl)propyl)-, monohydrochloride, 1-[benzyl(methyl)amino]-3-phenyl-3-(3-piperidin-1-ium-1-ylpropyl)indol-2-one chloride, RefChem:262076
| Molecular Formula | C30H36ClN3O |
|---|---|
| Molecular Weight | 489.25 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.2547 |
| Heavy Atoms | 35 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 33585-28-3 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCC[NH+]4CCCCC4)C5=CC=CC=C5.[Cl-] |
| InChIKey | UKLFBKGHDYACAX-UHFFFAOYSA-N |
Product Overview
RefChem:262076 (CAS 33585-28-3), with molecular formula C30H36ClN3O and molecular weight 489.25 g/mol. IUPAC: 1-[benzyl(methyl)amino]-3-phenyl-3-(3-piperidin-1-ium-1-ylpropyl)indol-2-one chloride.
Chemical Property Profile of RefChem:262076
Property Insights of RefChem:262076
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:262076. With a topological polar surface area (TPSA) of 28.0 Ų, RefChem:262076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:262076 has 1 hydrogen bond donor(s) and 3 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 RefChem:262076?
The CAS number of RefChem:262076 is 33585-28-3.
What is the molecular formula of RefChem:262076?
The molecular formula of RefChem:262076 is C30H36ClN3O.
What is the molecular weight of RefChem:262076?
The molecular weight of RefChem:262076 is 489.25 g/mol.
Where can I buy RefChem:262076?
You can request a quote for RefChem:262076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:262076?
Yes, KEHONG BIO provides custom synthesis services for RefChem:262076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.