Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
TL;DR: Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate (CAS 896316-76-0) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
Also Known As: ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate, F2590-0636, ethyl N-[2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate, ethyl N-[2-(4-tert-butylbenzamido)-4,5-dimethylthiophene-3-carbonyl]carbamate
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 4.80104 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 892.3648 |
Chemical Identifiers
| CAS Number | 896316-76-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate (CAS 896316-76-0), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: ethyl N-[2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate.
Chemical Property Profile of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
Property Insights of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
The XLogP value of 4.80104 indicates that Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate. Following Lipinski's Rule of Five, Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate has 2 hydrogen bond donor(s) and 5 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 Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The CAS number of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is 896316-76-0.
What is the molecular formula of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The molecular formula of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is C21H26N2O4S.
What is the molecular weight of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The molecular weight of Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is 402.16 g/mol.
Where can I buy Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
You can request a quote for Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate 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-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.