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Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate
TL;DR: Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate (CAS 219708-06-2) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate
Also Known As: ethyl 4-(5-methylthiophene-2-carboxamido)benzoate, ethyl 4-{[(5-methyl-2-thienyl)carbonyl]amino}benzoate, ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate, ethyl 4-[(5-methyl-2-thienyl)carbonylamino]benzoate, ethyl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 3.48552 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 616.3038 |
Chemical Identifiers
| CAS Number | 219708-06-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(S2)C |
Product Overview
Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate (CAS 219708-06-2), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: ethyl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate
Property Insights of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate
The XLogP value of 3.48552 indicates that Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate 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-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate 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 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate?
The CAS number of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate is 219708-06-2.
What is the molecular formula of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate is C15H15NO3S.
What is the molecular weight of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate is 289.08 g/mol.
Where can I buy Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(5-methylthiophen-2-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.