ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate
TL;DR: ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate (CAS 701280-77-5) is a chemical compound with molecular formula C26H27N3O4S2 and molecular weight 509.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate
Also Known As: ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate, ethyl 2-[({[4-(morpholin-4-ylcarbonyl)phenyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate, ethyl 5-benzyl-2-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate, ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate, Ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylate
| Molecular Formula | C26H27N3O4S2 |
|---|---|
| Molecular Weight | 509.14 g/mol |
| LogP | 4.7969 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.1443 |
| Heavy Atoms | 35 |
| Complexity | 1173.0674 |
Chemical Identifiers
| CAS Number | 701280-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4 |
Product Overview
ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate (CAS 701280-77-5), with molecular formula C26H27N3O4S2 and molecular weight 509.14 g/mol. IUPAC: ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate
Property Insights of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate
The XLogP value of 4.7969 indicates that ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate?
The CAS number of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate is 701280-77-5.
What is the molecular formula of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate?
The molecular formula of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate is C26H27N3O4S2.
What is the molecular weight of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate?
The molecular weight of ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate is 509.14 g/mol.
Where can I buy ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate?
You can request a quote for ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)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-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-benzyl-2-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.