Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
TL;DR: Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester (CAS 362002-50-4) is a chemical compound with molecular formula C9H12ClN3O2S and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetate
Also Known As: CBKinase1_001045, CBKinase1_013445, BAS 01321871, BRD-K02107547-001-01-4, BRD-K02107547-001-08-9
| Molecular Formula | C9H12ClN3O2S |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.03387 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 362002-50-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1Cl)C)N |
| InChIKey | ZMZXXPDLOGZBHO-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester (CAS 362002-50-4), with molecular formula C9H12ClN3O2S and molecular weight 261.03 g/mol. IUPAC: ethyl 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
Property Insights of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester?
The CAS number of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester is 362002-50-4.
What is the molecular formula of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester?
The molecular formula of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester is C9H12ClN3O2S.
What is the molecular weight of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester?
The molecular weight of Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester is 261.03 g/mol.
Where can I buy Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester?
You can request a quote for Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.