![ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure](/static/products/4066/406690-07-1.webp)
ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
TL;DR: ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE (CAS 406690-07-1) is a chemical compound with molecular formula C15H14F7NO3S and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, C15H14F7NO3S
| Molecular Formula | C15H14F7NO3S |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 4.575 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.05826 |
| Heavy Atoms | 27 |
| Complexity | 742.5044 |
Chemical Identifiers
| CAS Number | 406690-07-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE (CAS 406690-07-1), with molecular formula C15H14F7NO3S and molecular weight 421.06 g/mol. IUPAC: ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
Property Insights of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
The XLogP value of 4.575 indicates that ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-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-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-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-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The CAS number of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is 406690-07-1.
What is the molecular formula of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The molecular formula of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is C15H14F7NO3S.
What is the molecular weight of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The molecular weight of ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is 421.06 g/mol.
Where can I buy ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
You can request a quote for ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-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-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.