RefChem:332689
TL;DR: RefChem:332689 (CAS 101491-85-4) is a chemical compound with molecular formula C20H35ClN2O3 and molecular weight 386.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethylcarbamoyl]oxyethyl-diethylazanium chloride
Also Known As: C 2142, Carbamic acid, N-ethyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(diethylamino)ethyl ester, hydrochloride, N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(diethylamino)ethyl ester, HCl, 2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethylcarbamoyl]oxyethyl-diethylazanium;chloride, Carbamic acid,[2-(3,5-dimethylphenoxy)-1-methylethyl]ethyl-, 2-(diethylamino)ethyl ester,monohydrochloride (9CI)
| Molecular Formula | C20H35ClN2O3 |
|---|---|
| Molecular Weight | 386.23 g/mol |
| LogP | -0.54 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 386.2336 |
| Heavy Atoms | 26 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 101491-85-4 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)N(CC)C(C)COC1=CC(=CC(=C1)C)C.[Cl-] |
| InChIKey | AAXLJRGLJUBBDQ-UHFFFAOYSA-N |
Product Overview
RefChem:332689 (CAS 101491-85-4), with molecular formula C20H35ClN2O3 and molecular weight 386.23 g/mol. IUPAC: 2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethylcarbamoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:332689
Property Insights of RefChem:332689
The XLogP value of -0.54 indicates that RefChem:332689 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:332689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332689 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:332689?
The CAS number of RefChem:332689 is 101491-85-4.
What is the molecular formula of RefChem:332689?
The molecular formula of RefChem:332689 is C20H35ClN2O3.
What is the molecular weight of RefChem:332689?
The molecular weight of RefChem:332689 is 386.23 g/mol.
Where can I buy RefChem:332689?
You can request a quote for RefChem:332689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.