Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester
TL;DR: Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester (CAS 124041-05-0) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanylacetate
Also Known As: Ethyl ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)acetate, Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester, Ethyl {[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanyl}acetate, ethyl 2-[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanylacetate, BRN 3622792
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.23252 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 602.1227 |
Chemical Identifiers
| CAS Number | 124041-05-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC(=C1)OC2=CC=C(C=C2)C |
Product Overview
Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester (CAS 124041-05-0), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: ethyl 2-[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester
Property Insights of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester
The XLogP value of 3.23252 indicates that Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester has 0 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, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The CAS number of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester is 124041-05-0.
What is the molecular formula of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester is C15H16N2O3S.
What is the molecular weight of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester is 304.09 g/mol.
Where can I buy Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, 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, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-(4-methylphenoxy)-4-pyrimidinyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.