RefChem:332688
TL;DR: RefChem:332688 (CAS 101491-86-5) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 412.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate chloride
Also Known As: Carbamic acid, N-ethyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride, N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl, 2-(2-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl N-[1-(3,5-dimethy lphenoxy)propan-2-yl]-N-ethyl, 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate chloride, 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate;chloride
| Molecular Formula | C22H37ClN2O3 |
|---|---|
| Molecular Weight | 412.25 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.24927 |
| Heavy Atoms | 28 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 101491-86-5 |
|---|---|
| SMILES | CCN(C(C)COC1=CC(=CC(=C1)C)C)C(=O)OCC[NH+]2CCCCC2C.[Cl-] |
| InChIKey | BXDMZPWBEHLDKS-UHFFFAOYSA-N |
Product Overview
RefChem:332688 (CAS 101491-86-5), with molecular formula C22H37ClN2O3 and molecular weight 412.25 g/mol. IUPAC: 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate chloride.
Chemical Property Profile of RefChem:332688
Property Insights of RefChem:332688
The XLogP value of -0.01 indicates that RefChem:332688 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:332688 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332688 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:332688?
The CAS number of RefChem:332688 is 101491-86-5.
What is the molecular formula of RefChem:332688?
The molecular formula of RefChem:332688 is C22H37ClN2O3.
What is the molecular weight of RefChem:332688?
The molecular weight of RefChem:332688 is 412.25 g/mol.
Where can I buy RefChem:332688?
You can request a quote for RefChem:332688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332688?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.