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Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate (CAS 380645-80-7) is a chemical compound with molecular formula C22H21NO3S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,2-diphenylacetyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: AE-848/14138503, ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate, ETHYL 2-(2,2-DIPHENYLACETAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(2,2-diphenylacetyl)amino]-5-methylthiophene-3-carboxylate, ethyl 2-[(diphenylacetyl)amino]-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H21NO3S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 5.00382 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1242 |
| Heavy Atoms | 27 |
| Complexity | 879.74567 |
Chemical Identifiers
| CAS Number | 380645-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate (CAS 380645-80-7), with molecular formula C22H21NO3S and molecular weight 379.12 g/mol. IUPAC: ethyl 2-[(2,2-diphenylacetyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate
The XLogP value of 5.00382 indicates that Ethyl 2-[(diphenylacetyl)amino]-5-methyl-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 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate is 380645-80-7.
What is the molecular formula of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate is C22H21NO3S.
What is the molecular weight of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate is 379.12 g/mol.
Where can I buy Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-[(diphenylacetyl)amino]-5-methyl-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 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(diphenylacetyl)amino]-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.