1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride
TL;DR: 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride (CAS 68285-16-5) is a chemical compound with molecular formula C15H23Cl2FN2O3 and molecular weight 368.11 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-chloro-6-fluorophenyl]carbamate;hydrochloride
Also Known As: 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride, Carbamic acid, (2-chloro-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-6-fluorophenyl)-, ethyl ester, monohydrochloride, 1-(4-Ethoxycarbonylamino-3-chloro-5-fluoro-phenyl)-2-tert.-butylamino-ethanol hydrochloride, Ethyl hydrogen {4-[2-(tert-butylamino)-1-hydroxyethyl]-2-chloro-6-fluorophenyl}carbonimidate--hydrogen chloride (1/1), ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-chloro-6-fluorophenyl]carbamate hydrochloride
| Molecular Formula | C15H23Cl2FN2O3 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 3.8908 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.10696 |
| Heavy Atoms | 23 |
| Complexity | 512.93866 |
Chemical Identifiers
| CAS Number | 68285-16-5 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1Cl)C(CNC(C)(C)C)O)F.Cl |
Product Overview
1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride (CAS 68285-16-5), with molecular formula C15H23Cl2FN2O3 and molecular weight 368.11 g/mol. IUPAC: ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-chloro-6-fluorophenyl]carbamate;hydrochloride.
Chemical Property Profile of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride
Property Insights of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride
The XLogP value of 3.8908 indicates that 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride. Following Lipinski's Rule of Five, 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride has 3 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 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride?
The CAS number of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride is 68285-16-5.
What is the molecular formula of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride?
The molecular formula of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride is C15H23Cl2FN2O3.
What is the molecular weight of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride?
The molecular weight of 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride is 368.11 g/mol.
Where can I buy 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride?
You can request a quote for 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-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'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Ethoxycarbonylamino-3'-chloro-5'-fluorophenyl)-2-tert-butylamino-ethanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.