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Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
TL;DR: Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate (CAS 338779-87-6) 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.
methyl 2-(5-chloro-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate
Also Known As: methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate, methyl 2-[(5-chloro-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl]acetate, 6D-073, methyl 2-(5-chloro-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate, Methyl 2-(5-chloro-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate
| Molecular Formula | C14H13ClN2O2S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 3.37052 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.03864 |
| Heavy Atoms | 20 |
| Complexity | 620.071 |
Chemical Identifiers
| CAS Number | 338779-87-6 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)OC)Cl |
Product Overview
Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate (CAS 338779-87-6), with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol. IUPAC: methyl 2-(5-chloro-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
Property Insights of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
The XLogP value of 3.37052 indicates that Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-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-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-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-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The CAS number of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is 338779-87-6.
What is the molecular formula of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The molecular formula of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is C14H13ClN2O2S.
What is the molecular weight of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The molecular weight of Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is 308.04 g/mol.
Where can I buy Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
You can request a quote for Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-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-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.