ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate (CAS 835900-03-3) is a chemical compound with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate, ethyl 2-({[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-4-phenylthiophene-3-carboxylate, Ethyl 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate, ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate, ETHYL 2-[5-CHLORO-2-(METHYLSULFANYL)PYRIMIDINE-4-AMIDO]-4-PHENYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C19H16ClN3O3S2 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 5.0094 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.03217 |
| Heavy Atoms | 28 |
| Complexity | 1008.9134 |
Chemical Identifiers
| CAS Number | 835900-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SC |
Product Overview
ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate (CAS 835900-03-3), with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol. IUPAC: ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate
The XLogP value of 5.0094 indicates that ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate is 835900-03-3.
What is the molecular formula of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate is C19H16ClN3O3S2.
What is the molecular weight of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate is 433.03 g/mol.
Where can I buy ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-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-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.