Bionet1_001696
TL;DR: Bionet1_001696 (CAS 338793-01-4) is a chemical compound with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxylate
Also Known As: Bionet1_001696, methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylate, 6H-007, methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methylimidazole-4-carboxylate, methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylate
| Molecular Formula | C12H9ClF3N3O2S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 3.4251 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0056 |
| Heavy Atoms | 22 |
| Complexity | 718.12744 |
Chemical Identifiers
| CAS Number | 338793-01-4 |
|---|---|
| SMILES | CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OC |
Product Overview
Bionet1_001696 (CAS 338793-01-4), with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol. IUPAC: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxylate.
Chemical Property Profile of Bionet1_001696
Property Insights of Bionet1_001696
The XLogP value of 3.4251 indicates that Bionet1_001696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, Bionet1_001696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_001696 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_001696?
The CAS number of Bionet1_001696 is 338793-01-4.
What is the molecular formula of Bionet1_001696?
The molecular formula of Bionet1_001696 is C12H9ClF3N3O2S.
What is the molecular weight of Bionet1_001696?
The molecular weight of Bionet1_001696 is 351.01 g/mol.
Where can I buy Bionet1_001696?
You can request a quote for Bionet1_001696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001696?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.