![ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5452/5452-97-1.webp)
ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 5452-97-1) is a chemical compound with molecular formula C25H34N2O3S and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 6-methyl-2-{2-[(pentan-2-yl)amino]-2-phenylacetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C25H34N2O3S |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 5.5076 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.229 |
| Heavy Atoms | 31 |
| Complexity | 893.6721 |
Chemical Identifiers
| CAS Number | 5452-97-1 |
|---|---|
| SMILES | CCCC(C)NC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC |
Product Overview
ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 5452-97-1), with molecular formula C25H34N2O3S and molecular weight 442.23 g/mol. IUPAC: ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.5076 indicates that ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 5452-97-1.
What is the molecular formula of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C25H34N2O3S.
What is the molecular weight of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 442.23 g/mol.
Where can I buy ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-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 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-methyl-2-[[2-(pentan-2-ylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.