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methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate (CAS 588676-46-4) is a chemical compound with molecular formula C23H24N2O2S2 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate, methyl 2-({[(3,3-diphenylpropyl)amino]thioxomethyl}amino)-5-methylthiophene-3- carboxylate, methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methylthiophene-3-carboxylate, Methyl 2-(3,3-diphenylpropylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylate, methyl 2-(3-(3,3-diphenylpropyl)thioureido)-5-methylthiophene-3-carboxylate
| Molecular Formula | C23H24N2O2S2 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 5.35172 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12793 |
| Heavy Atoms | 29 |
| Complexity | 916.02386 |
Chemical Identifiers
| CAS Number | 588676-46-4 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC |
Product Overview
methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate (CAS 588676-46-4), with molecular formula C23H24N2O2S2 and molecular weight 424.13 g/mol. IUPAC: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
The XLogP value of 5.35172 indicates that methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate is 588676-46-4.
What is the molecular formula of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate is C23H24N2O2S2.
What is the molecular weight of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate is 424.13 g/mol.
Where can I buy methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-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 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(3,3-diphenylpropyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.