![2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/544/544669-75-2.png)
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 544669-75-2) is a chemical compound with molecular formula C20H20ClFN2O2S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2E)-3-(6-chloro-2-fluorophenyl)prop-2-enoylamino]-6-ethyl-4,5,6,7-tetrahyd robenzo[b]thiophene-3-carboxamide
| Molecular Formula | C20H20ClFN2O2S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 4.8063 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0918 |
| Heavy Atoms | 27 |
| Complexity | 902.6958 |
Chemical Identifiers
| CAS Number | 544669-75-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=C(C=CC=C3Cl)F |
Product Overview
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 544669-75-2), with molecular formula C20H20ClFN2O2S and molecular weight 406.09 g/mol. IUPAC: 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.8063 indicates that 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 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 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 544669-75-2.
What is the molecular formula of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C20H20ClFN2O2S.
What is the molecular weight of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 406.09 g/mol.
Where can I buy 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.