RefChem:339887
TL;DR: RefChem:339887 (CAS 40494-46-0) is a chemical compound with molecular formula C15H24ClNO and molecular weight 269.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yloxy)ethyl]azanium chloride
Also Known As: Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)oxy)-, hydrochloride, N,N-Dimethyl-2-((6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)oxy)ethylamine hydrochloride, DIMETHYL-[2-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-9-YLOXY)ETHYL]AZANIUMCHLORIDE, dimethyl-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yloxy)ethyl]azanium chloride, RefChem:339887
| Molecular Formula | C15H24ClNO |
|---|---|
| Molecular Weight | 269.15 g/mol |
| LogP | -1.38 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.15463 |
| Heavy Atoms | 18 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 40494-46-0 |
|---|---|
| SMILES | C[NH+](C)CCOC1CCCCC2=CC=CC=C12.[Cl-] |
| InChIKey | IMHYLNTXIRLOPF-UHFFFAOYSA-N |
Product Overview
RefChem:339887 (CAS 40494-46-0), with molecular formula C15H24ClNO and molecular weight 269.15 g/mol. IUPAC: dimethyl-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:339887
Property Insights of RefChem:339887
The XLogP value of -1.38 indicates that RefChem:339887 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:339887 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339887 has 1 hydrogen bond donor(s) and 2 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:339887?
The CAS number of RefChem:339887 is 40494-46-0.
What is the molecular formula of RefChem:339887?
The molecular formula of RefChem:339887 is C15H24ClNO.
What is the molecular weight of RefChem:339887?
The molecular weight of RefChem:339887 is 269.15 g/mol.
Where can I buy RefChem:339887?
You can request a quote for RefChem:339887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.