ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 701283-01-4) is a chemical compound with molecular formula C20H18BrN3O2S2 and molecular weight 475.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromo-2-pyridinyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-({[(5-bromo(2-pyridyl))amino]thioxomethyl}amino)-5-methyl-4-phenylthio phene-3-carboxylate, ethyl 2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C20H18BrN3O2S2 |
|---|---|
| Molecular Weight | 475.00 g/mol |
| LogP | 5.86662 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.00238 |
| Heavy Atoms | 28 |
| Complexity | 988.6903 |
Chemical Identifiers
| CAS Number | 701283-01-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=C(C=C3)Br |
Product Overview
ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 701283-01-4), with molecular formula C20H18BrN3O2S2 and molecular weight 475.00 g/mol. IUPAC: ethyl 2-[(5-bromo-2-pyridinyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 5.86662 indicates that ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-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 ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate is 701283-01-4.
What is the molecular formula of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate is C20H18BrN3O2S2.
What is the molecular weight of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate is 475.00 g/mol.
Where can I buy ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-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 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.