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Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate
TL;DR: Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate (CAS 356569-44-3) is a chemical compound with molecular formula C19H22ClNO3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-tert-butylphenyl)-2-[(2-chloroacetyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate, ethyl 4-(4-tert-butylphenyl)-2-[(2-chloroacetyl)amino]thiophene-3-carboxylate, ETHYL 4-(4-TERT-BUTYLPHENYL)-2-(2-CHLOROACETAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 4-[4-(tert-butyl)phenyl]-2-(2-chloroacetylamino)thiophene-3-carboxylate
| Molecular Formula | C19H22ClNO3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 5.0666 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1009 |
| Heavy Atoms | 25 |
| Complexity | 759.9667 |
Chemical Identifiers
| CAS Number | 356569-44-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCl |
Product Overview
Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate (CAS 356569-44-3), with molecular formula C19H22ClNO3S and molecular weight 379.10 g/mol. IUPAC: ethyl 4-(4-tert-butylphenyl)-2-[(2-chloroacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate
Property Insights of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate
The XLogP value of 5.0666 indicates that Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate?
The CAS number of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate is 356569-44-3.
What is the molecular formula of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate is C19H22ClNO3S.
What is the molecular weight of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate is 379.10 g/mol.
Where can I buy Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-tert-butylphenyl)-2-[(chloroacetyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.