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Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
TL;DR: Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate (CAS 344281-61-4) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate
Also Known As: methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate, 7J-594S, methyl 2-{[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl}acetate, methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate, methyl2-{[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 3.0621 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 557.86084 |
Chemical Identifiers
| CAS Number | 344281-61-4 |
|---|---|
| SMILES | COC(=O)CSC1=NC=C(C=N1)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate (CAS 344281-61-4), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
Property Insights of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
The XLogP value of 3.0621 indicates that Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The CAS number of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is 344281-61-4.
What is the molecular formula of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The molecular formula of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is C13H11ClN2O2S.
What is the molecular weight of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The molecular weight of Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is 294.02 g/mol.
Where can I buy Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
You can request a quote for Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.