RefChem:268680
TL;DR: RefChem:268680 (CAS 37129-56-9) is a chemical compound with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3-methyl-2-oxo-3-phenylindol-1-yl)ethyl]azanium chloride
Also Known As: 1,3-Dihydro-1-(2-(diethylamino)ethyl)-3-methyl-3-phenyl-2H-indol-2-one hydrochloride, 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-methyl-3-phenyl-, monohydrochloride, diethyl-[2-(3-methyl-2-oxo-3-phenylindol-1-yl)ethyl]azanium chloride, 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-3-METHYL-3-PHENYL-, MONOHY, RefChem:268680
| Molecular Formula | C21H27ClN2O |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.18118 |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 37129-56-9 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=CC=CC=C2C(C1=O)(C)C3=CC=CC=C3.[Cl-] |
| InChIKey | QLWBPTBQKCFUBG-UHFFFAOYSA-N |
Product Overview
RefChem:268680 (CAS 37129-56-9), with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol. IUPAC: diethyl-[2-(3-methyl-2-oxo-3-phenylindol-1-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:268680
Property Insights of RefChem:268680
The XLogP value of -0.73 indicates that RefChem:268680 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:268680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268680 has 1 hydrogen bond donor(s) and 2 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:268680?
The CAS number of RefChem:268680 is 37129-56-9.
What is the molecular formula of RefChem:268680?
The molecular formula of RefChem:268680 is C21H27ClN2O.
What is the molecular weight of RefChem:268680?
The molecular weight of RefChem:268680 is 358.18 g/mol.
Where can I buy RefChem:268680?
You can request a quote for RefChem:268680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.