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Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate
TL;DR: Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate (CAS 303147-42-4) is a chemical compound with molecular formula C21H20N2O4S2 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylacetate
Also Known As: ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate, ethyl 2-({6-[(benzenesulfonyl)methyl]-2-phenylpyrimidin-4-yl}sulfanyl)acetate, ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylacetate, ethyl2-({6-[(benzenesulfonyl)methyl]-2-phenylpyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C21H20N2O4S2 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 3.7727 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.08646 |
| Heavy Atoms | 29 |
| Complexity | 1072.35 |
Chemical Identifiers
| CAS Number | 303147-42-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate (CAS 303147-42-4), with molecular formula C21H20N2O4S2 and molecular weight 428.09 g/mol. IUPAC: ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate
Property Insights of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate
The XLogP value of 3.7727 indicates that Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate has 0 hydrogen bond donor(s) and 7 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-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate?
The CAS number of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate is 303147-42-4.
What is the molecular formula of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate?
The molecular formula of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate is C21H20N2O4S2.
What is the molecular weight of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate?
The molecular weight of Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate is 428.09 g/mol.
Where can I buy Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate?
You can request a quote for Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-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 Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({2-phenyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.