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Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate (CAS 331666-25-2) is a chemical compound with molecular formula C12H16BrNO3S and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-bromopropanoylamino)-5-ethylthiophene-3-carboxylate
Also Known As: BAS 00386810, ETHYL 2-(3-BROMOPROPANAMIDO)-5-ETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(3-bromopropanoyl)amino]-5-ethyl-3-thiophenecarboxylate, ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate, AH-262/32930008
| Molecular Formula | C12H16BrNO3S |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 3.2107 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.00342 |
| Heavy Atoms | 18 |
| Complexity | 430.95706 |
Chemical Identifiers
| CAS Number | 331666-25-2 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CCBr)C(=O)OCC |
Product Overview
Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate (CAS 331666-25-2), with molecular formula C12H16BrNO3S and molecular weight 333.00 g/mol. IUPAC: ethyl 2-(3-bromopropanoylamino)-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate
The XLogP value of 3.2107 indicates that Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-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-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-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-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate is 331666-25-2.
What is the molecular formula of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate is C12H16BrNO3S.
What is the molecular weight of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate is 333.00 g/mol.
Where can I buy Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-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-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3-bromopropanoyl)amino]-5-ethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.