![propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4200/420094-76-4.webp)
propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 420094-76-4) is a chemical compound with molecular formula C20H18F5NO3S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 6-methyl-2-{[(pentafluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 6-methyl-2-[(2,3,4,5,6-pentafluorophenyl)carbonylamino]-4,5,6,7-tetrahy drobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H18F5NO3S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.3875 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.09274 |
| Heavy Atoms | 30 |
| Complexity | 991.5965 |
Chemical Identifiers
| CAS Number | 420094-76-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 420094-76-4), with molecular formula C20H18F5NO3S and molecular weight 447.09 g/mol. IUPAC: propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.3875 indicates that propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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, propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 420094-76-4.
What is the molecular formula of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C20H18F5NO3S.
What is the molecular weight of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 447.09 g/mol.
Where can I buy propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)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 propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 6-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.