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Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
TL;DR: Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate (CAS 344281-95-4) is a chemical compound with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylacetate
Also Known As: ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate, ethyl 2-[5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylacetate, ethyl 2-{[5-(3-chlorophenyl)pyrimidin-2-yl]sulfanyl}acetate, ethyl2-{[5-(3-chlorophenyl)pyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C14H13ClN2O2S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 3.4522 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.03864 |
| Heavy Atoms | 20 |
| Complexity | 589.9827 |
Chemical Identifiers
| CAS Number | 344281-95-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl |
Product Overview
Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate (CAS 344281-95-4), with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol. IUPAC: ethyl 2-[5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
Property Insights of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate
The XLogP value of 3.4522 indicates that Ethyl 2-{[5-(3-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, Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{[5-(3-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 Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The CAS number of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is 344281-95-4.
What is the molecular formula of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The molecular formula of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is C14H13ClN2O2S.
What is the molecular weight of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
The molecular weight of Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate is 308.04 g/mol.
Where can I buy Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
You can request a quote for Ethyl 2-{[5-(3-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 Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[5-(3-chlorophenyl)-2-pyrimidinyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.