ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate
TL;DR: ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate (CAS 706764-25-2) is a chemical compound with molecular formula C27H31N3O2S2 and molecular weight 493.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-[(1-benzylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate, Ethyl 5-benzyl-2-[(1-benzyl-4-piperidyl)thiocarbamoylamino]thiophene-3-carboxylate, ethyl 5-benzyl-2-[(1-benzylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate, ethyl 5-benzyl-2-{[(1-benzylpiperidin-4-yl)carbamothioyl]amino}thiophene-3-carboxylate, ethyl 5-benzyl-2-[({[1-benzyl(4-piperidyl)]amino}thioxomethyl)amino]thiophene- 3-carboxylate
| Molecular Formula | C27H31N3O2S2 |
|---|---|
| Molecular Weight | 493.19 g/mol |
| LogP | 5.4666 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.18576 |
| Heavy Atoms | 34 |
| Complexity | 1077.7694 |
Chemical Identifiers
| CAS Number | 706764-25-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate (CAS 706764-25-2), with molecular formula C27H31N3O2S2 and molecular weight 493.19 g/mol. IUPAC: ethyl 5-benzyl-2-[(1-benzylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate
Property Insights of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate
The XLogP value of 5.4666 indicates that ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-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 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)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 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate?
The CAS number of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate is 706764-25-2.
What is the molecular formula of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate?
The molecular formula of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate is C27H31N3O2S2.
What is the molecular weight of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate?
The molecular weight of ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate is 493.19 g/mol.
Where can I buy ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate?
You can request a quote for ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)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 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-benzyl-2-(3-(1-benzylpiperidin-4-yl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.