![[5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride structure](/static/products/325/325974-89-8.png)
[5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride
TL;DR: [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride (CAS 325974-89-8) is a chemical compound with molecular formula C21H34ClNO4 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(dimethylamino)methyl]-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate;hydrochloride
Also Known As: [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride|5-((dimethylamino)methyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl 4-isobutoxybenzoate hydrochloride|SMR000046315|MLS000080839|REGID_for_CID_6603250
| Molecular Formula | C21H34ClNO4 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 4.0453 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.21765 |
| Heavy Atoms | 27 |
| Complexity | 586.3493 |
Chemical Identifiers
| CAS Number | 325974-89-8 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2CN(C)C)(C)C.Cl |
Product Overview
[5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride (CAS 325974-89-8), with molecular formula C21H34ClNO4 and molecular weight 399.22 g/mol. IUPAC: [5-[(dimethylamino)methyl]-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate;hydrochloride.
Chemical Property Profile of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride
Property Insights of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride
The XLogP value of 4.0453 indicates that [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride has 0 hydrogen bond donor(s) and 5 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 [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride?
The CAS number of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride is 325974-89-8.
What is the molecular formula of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride?
The molecular formula of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride is C21H34ClNO4.
What is the molecular weight of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride?
The molecular weight of [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride is 399.22 g/mol.
Where can I buy [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride?
You can request a quote for [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.