RefChem:268694
TL;DR: RefChem:268694 (CAS 42773-59-1) is a chemical compound with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[3-(3-methoxy-2-oxo-3-phenylindol-1-yl)propyl]azanium chloride
Also Known As: C20H24N2O2.ClH.1/2H2O, C20-H24-N2-O2.Cl-H.1/2H2-O, 1,3-Dihydro-1-(3-(ethylamino)propyl)-3-methoxy-3-phenyl-2H-indol-2-one hydrochloride hydrate, ethyl-[3-(3-methoxy-2-oxo-3-phenylindol-1-yl)propyl]azanium chloride, 2H-Indol-2-one, 1,3-dihydro-1-(3-(ethylamino)propyl)-3-methoxy-3-phenyl-, hydrochloride, hemihydrate (2:2:1)
| Molecular Formula | C20H25ClN2O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.16046 |
| Heavy Atoms | 25 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 42773-59-1 |
|---|---|
| SMILES | CC[NH2+]CCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC.[Cl-] |
| InChIKey | OLNKZIUELNDUOW-UHFFFAOYSA-N |
Product Overview
RefChem:268694 (CAS 42773-59-1), with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol. IUPAC: ethyl-[3-(3-methoxy-2-oxo-3-phenylindol-1-yl)propyl]azanium chloride.
Chemical Property Profile of RefChem:268694
Property Insights of RefChem:268694
The XLogP value of -1.1 indicates that RefChem:268694 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, RefChem:268694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268694 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:268694?
The CAS number of RefChem:268694 is 42773-59-1.
What is the molecular formula of RefChem:268694?
The molecular formula of RefChem:268694 is C20H25ClN2O2.
What is the molecular weight of RefChem:268694?
The molecular weight of RefChem:268694 is 360.16 g/mol.
Where can I buy RefChem:268694?
You can request a quote for RefChem:268694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.