Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl
TL;DR: Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl (CAS 118116-06-6) is a chemical compound with molecular formula C21H37ClN2O3 and molecular weight 400.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-tert-butyl-3-[2-(dipropylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
Also Known As: Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl, Carbamic acid, dimethyl-, 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester, monohydrochloride, [4-tert-butyl-3-[2-(dipropylamino)ethoxy]phenyl] N,N-dimethylcarbamate hydrochloride, 4-tert-Butyl-3-[2-(dipropylamino)ethoxy]phenyl dimethylcarbamate--hydrogen chloride (1/1), RefChem:332393
| Molecular Formula | C21H37ClN2O3 |
|---|---|
| Molecular Weight | 400.25 g/mol |
| LogP | 4.9671 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.24927 |
| Heavy Atoms | 27 |
| Complexity | 565.0354 |
Chemical Identifiers
| CAS Number | 118116-06-6 |
|---|---|
| SMILES | CCCN(CCC)CCOC1=C(C=CC(=C1)OC(=O)N(C)C)C(C)(C)C.Cl |
Product Overview
Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl (CAS 118116-06-6), with molecular formula C21H37ClN2O3 and molecular weight 400.25 g/mol. IUPAC: [4-tert-butyl-3-[2-(dipropylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.
Chemical Property Profile of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl
Property Insights of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl
The XLogP value of 4.9671 indicates that Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl 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 Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl?
The CAS number of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl is 118116-06-6.
What is the molecular formula of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl?
The molecular formula of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl is C21H37ClN2O3.
What is the molecular weight of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl?
The molecular weight of Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl is 400.25 g/mol.
Where can I buy Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl?
You can request a quote for Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl?
Yes, KEHONG BIO provides custom synthesis services for Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(dipropylamino)ethoxy)phenyl ester HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.