1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride
TL;DR: 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride (CAS 71626-46-5) is a chemical compound with molecular formula C16H24ClN3O3 and molecular weight 341.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl]carbamate;hydrochloride
Also Known As: 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride, Carbamic acid, (2-cyano-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)phenyl)-, ethyl ester,monohydrochloride, ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl]carbamate hydrochloride, Ethyl {4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl}carbamate--hydrogen chloride (1/1), RefChem:331938
| Molecular Formula | C16H24ClN3O3 |
|---|---|
| Molecular Weight | 341.15 g/mol |
| LogP | 2.96998 |
| Topological Polar Surface Area | 94.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1506 |
| Heavy Atoms | 23 |
| Complexity | 564.6694 |
Chemical Identifiers
| CAS Number | 71626-46-5 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)C(CNC(C)(C)C)O)C#N.Cl |
Product Overview
1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride (CAS 71626-46-5), with molecular formula C16H24ClN3O3 and molecular weight 341.15 g/mol. IUPAC: ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl]carbamate;hydrochloride.
Chemical Property Profile of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride
Property Insights of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride
The XLogP value of 2.96998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride. The TPSA of 94.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride. Following Lipinski's Rule of Five, 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride has 3 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 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride?
The CAS number of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride is 71626-46-5.
What is the molecular formula of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride?
The molecular formula of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride is C16H24ClN3O3.
What is the molecular weight of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride?
The molecular weight of 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride is 341.15 g/mol.
Where can I buy 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride?
You can request a quote for 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Ethoxycarbonylamino-3'-cyanophenyl)-2-tert-butylamino-ethanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.