RefChem:332386
TL;DR: RefChem:332386 (CAS 118116-17-9) is a chemical compound with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
Also Known As: Carbamic acid, dimethyl-, 3-(2-(dimethylamino)ethoxy)-5-(1,1-dimethylethyl)phenyl ester, monohydrochloride, Dimethylcarbamic acid 3-(2-(dimethylamino)ethoxy)-5-(1,1-dimethylethyl)phenyl ester HCl, [3-tert-butyl-5-(2-dimethylaminoethyloxy)phenyl] N,N-dimethylcarbamate hydrochloride, 3-tert-Butyl-5-[2-(dimethylamino)ethoxy]phenyl dimethylcarbamate--hydrogen chloride (1/1), RefChem:332386
| Molecular Formula | C17H29ClN2O3 |
|---|---|
| Molecular Weight | 344.19 g/mol |
| LogP | 3.4067 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.18668 |
| Heavy Atoms | 23 |
| Complexity | 511.0502 |
Chemical Identifiers
| CAS Number | 118116-17-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OC(=O)N(C)C)OCCN(C)C.Cl |
Product Overview
RefChem:332386 (CAS 118116-17-9), with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol. IUPAC: [3-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.
Chemical Property Profile of RefChem:332386
Property Insights of RefChem:332386
The XLogP value of 3.4067 indicates that RefChem:332386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, RefChem:332386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332386 has 0 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:332386?
The CAS number of RefChem:332386 is 118116-17-9.
What is the molecular formula of RefChem:332386?
The molecular formula of RefChem:332386 is C17H29ClN2O3.
What is the molecular weight of RefChem:332386?
The molecular weight of RefChem:332386 is 344.19 g/mol.
Where can I buy RefChem:332386?
You can request a quote for RefChem:332386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.