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Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate
TL;DR: Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate (CAS 325822-16-0) is a chemical compound with molecular formula C19H23NO3S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
Also Known As: AE-848/11421831, ethyl 4-isobutyl-2-(3-methylbenzamido)thiophene-3-carboxylate, ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate, ethyl 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate, ethyl 2-{[(3-methylphenyl)carbonyl]amino}-4-(2-methylpropyl)thiophene-3-carboxylate
| Molecular Formula | C19H23NO3S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 4.68402 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.13986 |
| Heavy Atoms | 24 |
| Complexity | 733.9632 |
Chemical Identifiers
| CAS Number | 325822-16-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=CC(=C2)C |
Product Overview
Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate (CAS 325822-16-0), with molecular formula C19H23NO3S and molecular weight 345.14 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate
Property Insights of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate
The XLogP value of 4.68402 indicates that Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate 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-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate 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-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate?
The CAS number of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate is 325822-16-0.
What is the molecular formula of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate is C19H23NO3S.
What is the molecular weight of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate is 345.14 g/mol.
Where can I buy Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.