RefChem:1090430
TL;DR: RefChem:1090430 (CAS 65210-31-3) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Also Known As: 2-(2-(Diethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-(2-(DIETHYLAMINO)ETHYL)-2-METHYL-, HYDROCHLORIDE, diethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride, 1,3-Benzodioxole-2-ethanamine, N,N-diethyl-2-methyl-, hydrochloride, N,N-Diethyl-2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 65210-31-3 |
|---|---|
| SMILES | CC[NH+](CC)CCC1(OC2=CC=CC=C2O1)C.[Cl-] |
| InChIKey | JHRMVICLUJHVED-UHFFFAOYSA-N |
Product Overview
RefChem:1090430 (CAS 65210-31-3), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: diethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1090430
Property Insights of RefChem:1090430
The XLogP value of -1.51 indicates that RefChem:1090430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:1090430 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090430 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:1090430?
The CAS number of RefChem:1090430 is 65210-31-3.
What is the molecular formula of RefChem:1090430?
The molecular formula of RefChem:1090430 is C14H22ClNO2.
What is the molecular weight of RefChem:1090430?
The molecular weight of RefChem:1090430 is 271.13 g/mol.
Where can I buy RefChem:1090430?
You can request a quote for RefChem:1090430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.