![ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7019/701945-12-2.webp)
ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701945-12-2) is a chemical compound with molecular formula C24H31N3O2S2 and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(4-(piperidin-1-ylmethyl)phenyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[({[4-(piperidylmethyl)phenyl]amino}thioxomethyl)amino]-4,5,6,7-tetrah ydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C24H31N3O2S2 |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 5.5984 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.18576 |
| Heavy Atoms | 31 |
| Complexity | 917.65076 |
Chemical Identifiers
| CAS Number | 701945-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)CN4CCCCC4 |
Product Overview
ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701945-12-2), with molecular formula C24H31N3O2S2 and molecular weight 457.19 g/mol. IUPAC: ethyl 2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.5984 indicates that ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 701945-12-2.
What is the molecular formula of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C24H31N3O2S2.
What is the molecular weight of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 457.19 g/mol.
Where can I buy ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.