RefChem:1079158
TL;DR: RefChem:1079158 (CAS 78329-85-8) is a chemical compound with molecular formula C17H28ClNO4 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxybenzoyl)oxyethyl-ethyl-(2-hydroxyethyl)azanium chloride
Also Known As: p-Butoxybenzoic acid 2-(ethyl(2-hydroxyethyl)amino)ethyl ester hydrochloride, Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester, hydrochloride, 2-(N-Ethyl-N-(2-hydroxyethyl)amino)ethyl p-butoxybenzoate hydrochloride, beta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate hydrochloride, 2-(4-butoxybenzoyl)oxyethyl-ethyl-(2-hydroxyethyl)azanium chloride
| Molecular Formula | C17H28ClNO4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 345.1707 |
| Heavy Atoms | 23 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 78329-85-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CCO.[Cl-] |
| InChIKey | UQMXIJROEGDSEF-UHFFFAOYSA-N |
Product Overview
RefChem:1079158 (CAS 78329-85-8), with molecular formula C17H28ClNO4 and molecular weight 345.17 g/mol. IUPAC: 2-(4-butoxybenzoyl)oxyethyl-ethyl-(2-hydroxyethyl)azanium chloride.
Chemical Property Profile of RefChem:1079158
Property Insights of RefChem:1079158
The XLogP value of -2.08 indicates that RefChem:1079158 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079158. Following Lipinski's Rule of Five, RefChem:1079158 has 2 hydrogen bond donor(s) and 5 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:1079158?
The CAS number of RefChem:1079158 is 78329-85-8.
What is the molecular formula of RefChem:1079158?
The molecular formula of RefChem:1079158 is C17H28ClNO4.
What is the molecular weight of RefChem:1079158?
The molecular weight of RefChem:1079158 is 345.17 g/mol.
Where can I buy RefChem:1079158?
You can request a quote for RefChem:1079158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079158?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.