ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate
TL;DR: ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate (CAS 588710-97-8) is a chemical compound with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-(3-morpholin-4-ylpropylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate, ethyl 5-benzyl-2-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)thiophene-3-carboxylate, ethyl 5-benzyl-2-(3-morpholin-4-ylpropylcarbamothioylamino)thiophene-3-carboxylate, Ethyl 5-benzyl-2-(3-morpholin-4-ylpropylthiocarbamoylamino)thiophene-3-carboxylate, ethyl 2-({[(3-morpholin-4-ylpropyl)amino]thioxomethyl}amino)-5-benzylthiophene -3-carboxylate
| Molecular Formula | C22H29N3O3S2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 3.5243 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.16504 |
| Heavy Atoms | 30 |
| Complexity | 820.29016 |
Chemical Identifiers
| CAS Number | 588710-97-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3CCOCC3 |
Product Overview
ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate (CAS 588710-97-8), with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol. IUPAC: ethyl 5-benzyl-2-(3-morpholin-4-ylpropylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate
Property Insights of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate
The XLogP value of 3.5243 indicates that ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate?
The CAS number of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate is 588710-97-8.
What is the molecular formula of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate?
The molecular formula of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate is C22H29N3O3S2.
What is the molecular weight of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate?
The molecular weight of ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate is 447.17 g/mol.
Where can I buy ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate?
You can request a quote for ethyl 5-benzyl-2-(3-(3-morpholinopropyl)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-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-benzyl-2-(3-(3-morpholinopropyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.