![ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445029-66-3.webp)
ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
TL;DR: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate (CAS 445029-66-3) is a chemical compound with molecular formula C31H31NO3S2 and molecular weight 529.17 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-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate, ethyl 4-(4-tert-butylphenyl)-2-{[phenyl(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate, ethyl 4-(4-tert-butylphenyl)-2-{[phenyl(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate, ethyl 4-[4-(tert-butyl)phenyl]-2-(2-phenyl-2-phenylthioacetylamino)thiophene-3 -carboxylate
| Molecular Formula | C31H31NO3S2 |
|---|---|
| Molecular Weight | 529.17 g/mol |
| LogP | 8.3614 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.17456 |
| Heavy Atoms | 37 |
| Complexity | 1340.981 |
Chemical Identifiers
| CAS Number | 445029-66-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 |
Product Overview
ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate (CAS 445029-66-3), with molecular formula C31H31NO3S2 and molecular weight 529.17 g/mol. IUPAC: ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Property Insights of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
The XLogP value of 8.3614 indicates that ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)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-[(2-phenyl-2-phenylsulfanylacetyl)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-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The CAS number of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is 445029-66-3.
What is the molecular formula of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The molecular formula of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is C31H31NO3S2.
What is the molecular weight of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The molecular weight of ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is 529.17 g/mol.
Where can I buy ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
You can request a quote for ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)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-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-tert-butylphenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.