methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate
TL;DR: methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate (CAS 799809-76-0) is a chemical compound with molecular formula C24H24N2O6S2 and molecular weight 500.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylphenyl)-2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate, methyl 4-(4-methylphenyl)-2-({[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate, methyl 4-(4-methylphenyl)-2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiophene-3-carboxylate, Methyl 4-(4-methylphenyl)-2-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]thiophene-3-carboxylate
| Molecular Formula | C24H24N2O6S2 |
|---|---|
| Molecular Weight | 500.11 g/mol |
| LogP | 4.66272 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.10757 |
| Heavy Atoms | 34 |
| Complexity | 1195.6963 |
Chemical Identifiers
| CAS Number | 799809-76-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate (CAS 799809-76-0), with molecular formula C24H24N2O6S2 and molecular weight 500.11 g/mol. IUPAC: methyl 4-(4-methylphenyl)-2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate
Property Insights of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate
The XLogP value of 4.66272 indicates that methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate?
The CAS number of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate is 799809-76-0.
What is the molecular formula of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate?
The molecular formula of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate is C24H24N2O6S2.
What is the molecular weight of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate?
The molecular weight of methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate is 500.11 g/mol.
Where can I buy methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate?
You can request a quote for methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)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 methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(p-tolyl)-2-(3-(3,4,5-trimethoxybenzoyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.