![(Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/348/348164-89-6.png)
(Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 348164-89-6) is a chemical compound with molecular formula C21H21BrN2O3S2 and molecular weight 492.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(2Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H21BrN2O3S2 |
|---|---|
| Molecular Weight | 492.02 g/mol |
| LogP | 5.0925 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.0177 |
| Heavy Atoms | 29 |
| Complexity | 951.581 |
Chemical Identifiers
| CAS Number | 348164-89-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)/C=C\C3=CC=C(C=C3)Br |
Product Overview
(Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 348164-89-6), with molecular formula C21H21BrN2O3S2 and molecular weight 492.02 g/mol. IUPAC: ethyl 2-[[(Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.0925 indicates that (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 2 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 (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 348164-89-6.
What is the molecular formula of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C21H21BrN2O3S2.
What is the molecular weight of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 492.02 g/mol.
Where can I buy (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)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 (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(3-(3-(4-bromophenyl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.