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Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
TL;DR: Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 312939-79-0) is a chemical compound with molecular formula C25H27NO3S and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: AE-848/12123114, ethyl 2-(4-(tert-butyl)benzamido)-4-(p-tolyl)thiophene-3-carboxylate, ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate, ETHYL 2-(4-TERT-BUTYLBENZAMIDO)-4-(4-METHYLPHENYL)THIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
| Molecular Formula | C25H27NO3S |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 6.45002 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.17117 |
| Heavy Atoms | 30 |
| Complexity | 1041.4929 |
Chemical Identifiers
| CAS Number | 312939-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 312939-79-0), with molecular formula C25H27NO3S and molecular weight 421.17 g/mol. IUPAC: ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Property Insights of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
The XLogP value of 6.45002 indicates that Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)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 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)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 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The CAS number of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is 312939-79-0.
What is the molecular formula of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is C25H27NO3S.
What is the molecular weight of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is 421.17 g/mol.
Where can I buy Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)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 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-tert-butylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.