![ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/4288/428835-65-8.webp)
ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 428835-65-8) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(naphthalene-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(naphthalene-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(naphthalene-1-carbonylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-{[(1-naphthoylamino)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 5.0836 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1131.4287 |
Chemical Identifiers
| CAS Number | 428835-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 428835-65-8), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: ethyl 2-(naphthalene-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.0836 indicates that ethyl 2-(3-(1-naphthoyl)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 ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(1-naphthoyl)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 ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 428835-65-8.
What is the molecular formula of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C23H22N2O3S2.
What is the molecular weight of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 438.11 g/mol.
Where can I buy ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-(1-naphthoyl)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-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(1-naphthoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.