Bionet1_001544
TL;DR: Bionet1_001544 (CAS 339101-75-6) is a chemical compound with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
Also Known As: Bionet1_001544, 8J-520S, methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate, Methyl 4-(((1-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl)sulfanyl)methyl)benzenecarboxylate, methyl 4-({[1-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}methyl)benzenecarboxylate
| Molecular Formula | C15H13F3N2O3S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 2.878 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0599 |
| Heavy Atoms | 24 |
| Complexity | 801.09204 |
Chemical Identifiers
| CAS Number | 339101-75-6 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F |
Product Overview
Bionet1_001544 (CAS 339101-75-6), with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol. IUPAC: methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of Bionet1_001544
Property Insights of Bionet1_001544
The XLogP value of 2.878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_001544. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001544. Following Lipinski's Rule of Five, Bionet1_001544 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 Bionet1_001544?
The CAS number of Bionet1_001544 is 339101-75-6.
What is the molecular formula of Bionet1_001544?
The molecular formula of Bionet1_001544 is C15H13F3N2O3S.
What is the molecular weight of Bionet1_001544?
The molecular weight of Bionet1_001544 is 358.06 g/mol.
Where can I buy Bionet1_001544?
You can request a quote for Bionet1_001544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001544?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.