RefChem:268686
TL;DR: RefChem:268686 (CAS 42773-86-4) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(2-oxo-3-phenyl-3H-indol-1-yl)ethyl]azanium chloride
Also Known As: 1,3-Dihydro-1-(2-(dimethylamino)ethyl)-3-phenyl-2H-indol-2-one hydrochloride, dimethyl-[2-(2-oxo-3-phenyl-3H-indol-1-yl)ethyl]azanium chloride, 2H-Indol-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride, 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, MONOHYDROCHLOR, RefChem:268686
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | -1.69 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 42773-86-4 |
|---|---|
| SMILES | C[NH+](C)CCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | COBPEAVAGDROIP-UHFFFAOYSA-N |
Product Overview
RefChem:268686 (CAS 42773-86-4), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: dimethyl-[2-(2-oxo-3-phenyl-3H-indol-1-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:268686
Property Insights of RefChem:268686
The XLogP value of -1.69 indicates that RefChem:268686 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:268686 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268686 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:268686?
The CAS number of RefChem:268686 is 42773-86-4.
What is the molecular formula of RefChem:268686?
The molecular formula of RefChem:268686 is C18H21ClN2O.
What is the molecular weight of RefChem:268686?
The molecular weight of RefChem:268686 is 316.13 g/mol.
Where can I buy RefChem:268686?
You can request a quote for RefChem:268686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.