RefChem:1061800
TL;DR: RefChem:1061800 (CAS 68135-50-2) is a chemical compound with molecular formula C13H21ClN2O3 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
Also Known As: 2-(Dimethylamino)ethyl o-ethoxycarbanilate hydrochloride, 2-[(2-ethoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride, o-Ethoxycarbanilic acid 2-(dimethylamino)ethyl ester hydrochloride, CARBANILIC ACID, o-ETHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(Dimethylamino)ethyl hydrogen (2-ethoxyphenyl)carbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C13H21ClN2O3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | -2.22 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.12408 |
| Heavy Atoms | 19 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 68135-50-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | LEHYIHHCYZUQJP-UHFFFAOYSA-N |
Product Overview
RefChem:1061800 (CAS 68135-50-2), with molecular formula C13H21ClN2O3 and molecular weight 288.12 g/mol. IUPAC: 2-[(2-ethoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1061800
Property Insights of RefChem:1061800
The XLogP value of -2.22 indicates that RefChem:1061800 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1061800 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061800 has 2 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:1061800?
The CAS number of RefChem:1061800 is 68135-50-2.
What is the molecular formula of RefChem:1061800?
The molecular formula of RefChem:1061800 is C13H21ClN2O3.
What is the molecular weight of RefChem:1061800?
The molecular weight of RefChem:1061800 is 288.12 g/mol.
Where can I buy RefChem:1061800?
You can request a quote for RefChem:1061800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061800?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.