RefChem:262077
TL;DR: RefChem:262077 (CAS 40714-36-1) is a chemical compound with molecular formula C31H38ClN3O and molecular weight 503.27 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-(4-piperidin-1-ium-1-ylbutyl)indol-2-one chloride
Also Known As: 2-Indolinone, 1-(benzylmethylamino)-3-phenyl-3-(4-piperidinobutyl)-, monohydrochloride, 1-(Benzylmethylamino)-3-phenyl-3-(4-piperidinobutyl)-2-indolinone monohydrochloride, 1-[benzyl(methyl)amino]-3-phenyl-3-(4-piperidin-1-ium-1-ylbutyl)indol-2-one chloride, RefChem:262077
| Molecular Formula | C31H38ClN3O |
|---|---|
| Molecular Weight | 503.27 g/mol |
| LogP | 1.61 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.27036 |
| Heavy Atoms | 36 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 40714-36-1 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCCC[NH+]4CCCCC4)C5=CC=CC=C5.[Cl-] |
| InChIKey | DCVPWYPHVDVMDQ-UHFFFAOYSA-N |
Product Overview
RefChem:262077 (CAS 40714-36-1), with molecular formula C31H38ClN3O and molecular weight 503.27 g/mol. IUPAC: 1-[benzyl(methyl)amino]-3-phenyl-3-(4-piperidin-1-ium-1-ylbutyl)indol-2-one chloride.
Chemical Property Profile of RefChem:262077
Property Insights of RefChem:262077
The XLogP value of 1.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:262077. With a topological polar surface area (TPSA) of 28.0 Ų, RefChem:262077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:262077 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:262077?
The CAS number of RefChem:262077 is 40714-36-1.
What is the molecular formula of RefChem:262077?
The molecular formula of RefChem:262077 is C31H38ClN3O.
What is the molecular weight of RefChem:262077?
The molecular weight of RefChem:262077 is 503.27 g/mol.
Where can I buy RefChem:262077?
You can request a quote for RefChem:262077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:262077?
Yes, KEHONG BIO provides custom synthesis services for RefChem:262077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.