![ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE structure](/static/products/354/354530-98-6.png)
ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE
TL;DR: ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE (CAS 354530-98-6) is a chemical compound with molecular formula C22H24F3N3O5S and molecular weight 499.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate
Also Known As: ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE, ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(4-methoxyphenyl)carbonyl]amino}alaninate, ethyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-methoxybenzamido)propanoate, ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate
| Molecular Formula | C22H24F3N3O5S |
|---|---|
| Molecular Weight | 499.14 g/mol |
| LogP | 3.398 |
| Topological Polar Surface Area | 119.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.1389 |
| Heavy Atoms | 34 |
| Complexity | 1084.6897 |
Chemical Identifiers
| CAS Number | 354530-98-6 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OC |
Product Overview
ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE (CAS 354530-98-6), with molecular formula C22H24F3N3O5S and molecular weight 499.14 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate.
Chemical Property Profile of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE
Property Insights of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE
The XLogP value of 3.398 indicates that ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE. Following Lipinski's Rule of Five, ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE has 3 hydrogen bond donor(s) and 7 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-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE?
The CAS number of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE is 354530-98-6.
What is the molecular formula of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE?
The molecular formula of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE is C22H24F3N3O5S.
What is the molecular weight of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE?
The molecular weight of ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE is 499.14 g/mol.
Where can I buy ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE?
You can request a quote for ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-METHOXYPHENYL)FORMAMIDO]PROPANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.