RefChem:1061689
TL;DR: RefChem:1061689 (CAS 18394-54-2) is a chemical compound with molecular formula C18H27ClN2O3 and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(5-methoxy-1,2-dimethylindole-3-carbonyl)oxyethyl]azanium chloride
Also Known As: Indole-3-carboxylic acid, 1,2-dimethyl-5-methoxy-, 2-(diethylamino)ethyl ester, monohydrochloride, diethyl-[2-(5-methoxy-1,2-dimethylindole-3-carbonyl)oxyethyl]azanium;chloride, DIETHYL-[2-(5-METHOXY-1,2-DIMETHYLINDOLE-3-CARBONYL)OXYETHYL]AZANIUMCHLORIDE, diethyl-[2-(5-methoxy-1,2-dimethylindole-3-carbonyl)oxyethyl]azanium chloride, INDOLE-3-CARBOXYLIC ACID, 1,2-DIMETHYL-5-METHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER,
| Molecular Formula | C18H27ClN2O3 |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | -1.42 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.17102 |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 18394-54-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C.[Cl-] |
| InChIKey | XQUDPSVEYAEJQD-UHFFFAOYSA-N |
Product Overview
RefChem:1061689 (CAS 18394-54-2), with molecular formula C18H27ClN2O3 and molecular weight 354.17 g/mol. IUPAC: diethyl-[2-(5-methoxy-1,2-dimethylindole-3-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061689
Property Insights of RefChem:1061689
The XLogP value of -1.42 indicates that RefChem:1061689 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:1061689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061689 has 1 hydrogen bond donor(s) and 4 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:1061689?
The CAS number of RefChem:1061689 is 18394-54-2.
What is the molecular formula of RefChem:1061689?
The molecular formula of RefChem:1061689 is C18H27ClN2O3.
What is the molecular weight of RefChem:1061689?
The molecular weight of RefChem:1061689 is 354.17 g/mol.
Where can I buy RefChem:1061689?
You can request a quote for RefChem:1061689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.