![ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3306/330684-98-5.webp)
ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 330684-98-5) is a chemical compound with molecular formula C22H24Cl3N3O3S2 and molecular weight 547.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0095-1210, ethyl 2-[({2,2,2-trichloro-1-[(4-methylphenyl)formamido]ethyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{[({2,2,2-TRICHLORO-1-[(4-METHYLBENZOYL)AMINO]ETHYL}AMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H24Cl3N3O3S2 |
|---|---|
| Molecular Weight | 547.03 g/mol |
| LogP | 5.52472 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.0325 |
| Heavy Atoms | 33 |
| Complexity | 1035.9875 |
Chemical Identifiers
| CAS Number | 330684-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)C |
Product Overview
ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 330684-98-5), with molecular formula C22H24Cl3N3O3S2 and molecular weight 547.03 g/mol. IUPAC: ethyl 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.52472 indicates that ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 330684-98-5.
What is the molecular formula of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C22H24Cl3N3O3S2.
What is the molecular weight of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 547.03 g/mol.
Where can I buy ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-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-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(2,2,2-trichloro-1-(4-methylbenzamido)ethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.