methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
TL;DR: methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate (CAS 701969-98-4) is a chemical compound with molecular formula C19H18N2O2S3 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate, methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate, methyl 5-methyl-4-phenyl-2-({[(2-thienylmethyl)amino]thioxomethyl}amino)thioph ene-3-carboxylate, methyl 5-methyl-4-phenyl-2-{[(thiophen-2-ylmethyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C19H18N2O2S3 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 5.05822 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.05304 |
| Heavy Atoms | 26 |
| Complexity | 902.5245 |
Chemical Identifiers
| CAS Number | 701969-98-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=S)NCC2=CC=CS2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate (CAS 701969-98-4), with molecular formula C19H18N2O2S3 and molecular weight 402.05 g/mol. IUPAC: methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
Property Insights of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate
The XLogP value of 5.05822 indicates that methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)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 50.36 Ų, methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)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 methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The CAS number of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is 701969-98-4.
What is the molecular formula of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The molecular formula of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is C19H18N2O2S3.
What is the molecular weight of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
The molecular weight of methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate is 402.05 g/mol.
Where can I buy methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
You can request a quote for methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)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 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-methyl-4-phenyl-2-(3-(thiophen-2-ylmethyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.