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Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 312939-99-4) is a chemical compound with molecular formula C16H16INO3S and molecular weight 428.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ETHYL 2-(4-IODOBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylate, ethyl 2-{[(4-iodophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C16H16INO3S |
|---|---|
| Molecular Weight | 428.99 g/mol |
| LogP | 4.39854 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.98956 |
| Heavy Atoms | 22 |
| Complexity | 706.92615 |
Chemical Identifiers
| CAS Number | 312939-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)I |
Product Overview
Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 312939-99-4), with molecular formula C16H16INO3S and molecular weight 428.99 g/mol. IUPAC: ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.39854 indicates that Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-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-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is 312939-99-4.
What is the molecular formula of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is C16H16INO3S.
What is the molecular weight of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is 428.99 g/mol.
Where can I buy Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-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-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.