![4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID structure](/static/products/1022/1022107-35-2.webp)
4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID
TL;DR: 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID (CAS 1022107-35-2) is a chemical compound with molecular formula C16H15F6NO5S and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
Also Known As: 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID, 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid, 4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-2,2,3,3,4,4-hexafluorobutanoic acid, 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,3,3,4,4-hexafluoro-5-oxo-pentanoic acid, C16H15F6NO5S
| Molecular Formula | C16H15F6NO5S |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 3.7326 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.05753 |
| Heavy Atoms | 29 |
| Complexity | 838.01184 |
Chemical Identifiers
| CAS Number | 1022107-35-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F |
Product Overview
4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID (CAS 1022107-35-2), with molecular formula C16H15F6NO5S and molecular weight 447.06 g/mol. IUPAC: 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid.
Chemical Property Profile of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID
Property Insights of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID
The XLogP value of 3.7326 indicates that 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID. Following Lipinski's Rule of Five, 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID has 2 hydrogen bond donor(s) and 5 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 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID?
The CAS number of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID is 1022107-35-2.
What is the molecular formula of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID?
The molecular formula of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID is C16H15F6NO5S.
What is the molecular weight of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID?
The molecular weight of 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID is 447.06 g/mol.
Where can I buy 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID?
You can request a quote for 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(3-(ETHOXYCARBONYL)(4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-YL))CARBAMOYL)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.