![ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate structure](/static/products/3069/306980-57-4.webp)
ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
TL;DR: ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate (CAS 306980-57-4) is a chemical compound with molecular formula C21H19ClN2O3S2 and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-[(4-chlorophenyl)sulfinylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate
Also Known As: ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate, ethyl 2-({6-[(4-chlorobenzenesulfinyl)methyl]-2-phenylpyrimidin-4-yl}sulfanyl)acetate, ethyl 2-[6-[(4-chlorophenyl)sulfinylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate, ethyl2-({6-[(4-chlorobenzenesulfinyl)methyl]-2-phenylpyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C21H19ClN2O3S2 |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 4.76 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.05255 |
| Heavy Atoms | 29 |
| Complexity | 998.5679 |
Chemical Identifiers
| CAS Number | 306980-57-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate (CAS 306980-57-4), with molecular formula C21H19ClN2O3S2 and molecular weight 446.05 g/mol. IUPAC: ethyl 2-[6-[(4-chlorophenyl)sulfinylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
Property Insights of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate
The XLogP value of 4.76 indicates that ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate 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 ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The CAS number of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is 306980-57-4.
What is the molecular formula of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is C21H19ClN2O3S2.
What is the molecular weight of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate is 446.05 g/mol.
Where can I buy ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]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 ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.