![METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE structure](/static/products/6288/6288-75-1.webp)
METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE
TL;DR: METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE (CAS 6288-75-1) is a chemical compound with molecular formula C20H22FN5O2S2 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
Also Known As: METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE, methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
| Molecular Formula | C20H22FN5O2S2 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 4.14924 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.1199 |
| Heavy Atoms | 30 |
| Complexity | 1006.2863 |
Chemical Identifiers
| CAS Number | 6288-75-1 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)F)CSC3=NC(=CC(=N3)C)C |
Product Overview
METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE (CAS 6288-75-1), with molecular formula C20H22FN5O2S2 and molecular weight 447.12 g/mol. IUPAC: methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate.
Chemical Property Profile of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE
Property Insights of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE
The XLogP value of 4.14924 indicates that METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE. Following Lipinski's Rule of Five, METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE has 0 hydrogen bond donor(s) and 8 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-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE?
The CAS number of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE is 6288-75-1.
What is the molecular formula of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE?
The molecular formula of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE is C20H22FN5O2S2.
What is the molecular weight of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE?
The molecular weight of METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE is 447.12 g/mol.
Where can I buy METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE?
You can request a quote for METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE 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-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BUTANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.