RefChem:315574
TL;DR: RefChem:315574 (CAS 77791-37-8) is a chemical compound with molecular formula C21H35ClN2O2 and molecular weight 382.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-(2-methylpiperidin-1-ium-1-yl)acetamide chloride
Also Known As: C 2103, N-Ethyl-2-(2-methylpiperidino)-N-(1-(2,4-xylyloxy)-2-propyl)acetamide hydrochloride, Acetamide, N-ethyl-2-(2-methylpiperidino)-N-(1-(2,4-xylyloxy)-2-propyl)-, hydrochloride, N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-(2-methylpiperidin-1-ium-1-yl)acetamide chloride, 1-Piperidineacetamide, N-[2-(2,4-dimethylphenoxy)-1-methylethyl]-N-ethyl-2-methyl-, monohydrochloride
| Molecular Formula | C21H35ClN2O2 |
|---|---|
| Molecular Weight | 382.24 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.2387 |
| Heavy Atoms | 26 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 77791-37-8 |
|---|---|
| SMILES | CCN(C(C)COC1=C(C=C(C=C1)C)C)C(=O)C[NH+]2CCCCC2C.[Cl-] |
| InChIKey | SMVYEAZVFPJSDQ-UHFFFAOYSA-N |
Product Overview
RefChem:315574 (CAS 77791-37-8), with molecular formula C21H35ClN2O2 and molecular weight 382.24 g/mol. IUPAC: N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-(2-methylpiperidin-1-ium-1-yl)acetamide chloride.
Chemical Property Profile of RefChem:315574
Property Insights of RefChem:315574
The XLogP value of -0.62 indicates that RefChem:315574 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:315574 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:315574 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:315574?
The CAS number of RefChem:315574 is 77791-37-8.
What is the molecular formula of RefChem:315574?
The molecular formula of RefChem:315574 is C21H35ClN2O2.
What is the molecular weight of RefChem:315574?
The molecular weight of RefChem:315574 is 382.24 g/mol.
Where can I buy RefChem:315574?
You can request a quote for RefChem:315574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315574?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.