![3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester structure](/static/products/3156/315684-13-0.webp)
3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester (CAS 315684-13-0) is a chemical compound with molecular formula C28H27NO3S and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-tert-butylphenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate
Also Known As: 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester, Ethyl 2-(naphthalene-1-carbonylamino)-4-(4-tert-butylphenyl)thiophene-3-carboxylate, ethyl 4-(4-tert-butylphenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate, Ethyl 4-(4-tert-butylphenyl)-2-[(naphthalene-1-carbonyl)amino]thiophene-3-carboxylate, ethyl 4-[4-(tert-butyl)phenyl]-2-(naphthylcarbonylamino)thiophene-3-carboxylat e
| Molecular Formula | C28H27NO3S |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 7.2948 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.17117 |
| Heavy Atoms | 33 |
| Complexity | 1307.9827 |
Chemical Identifiers
| CAS Number | 315684-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester (CAS 315684-13-0), with molecular formula C28H27NO3S and molecular weight 457.17 g/mol. IUPAC: ethyl 4-(4-tert-butylphenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester
The XLogP value of 7.2948 indicates that 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester 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 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester is 315684-13-0.
What is the molecular formula of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester is C28H27NO3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester is 457.17 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[(1-naphthalenylcarbonyl)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.