Bionet1_002145
TL;DR: Bionet1_002145 (CAS 339013-90-0) is a chemical compound with molecular formula C13H10F3N3O3S2 and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylbenzoate
Also Known As: Bionet1_002145, 7K-581S, methyl 2-[(2-oxo-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}ethyl)sulfanyl]benzenecarboxylate, methyl 2-[({[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]benzoate, methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylbenzoate
| Molecular Formula | C13H10F3N3O3S2 |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 3.0743 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.01157 |
| Heavy Atoms | 24 |
| Complexity | 749.3034 |
Chemical Identifiers
| CAS Number | 339013-90-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SCC(=O)NC2=NN=C(S2)C(F)(F)F |
Product Overview
Bionet1_002145 (CAS 339013-90-0), with molecular formula C13H10F3N3O3S2 and molecular weight 377.01 g/mol. IUPAC: methyl 2-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylbenzoate.
Chemical Property Profile of Bionet1_002145
Property Insights of Bionet1_002145
The XLogP value of 3.0743 indicates that Bionet1_002145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002145. Following Lipinski's Rule of Five, Bionet1_002145 has 1 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 Bionet1_002145?
The CAS number of Bionet1_002145 is 339013-90-0.
What is the molecular formula of Bionet1_002145?
The molecular formula of Bionet1_002145 is C13H10F3N3O3S2.
What is the molecular weight of Bionet1_002145?
The molecular weight of Bionet1_002145 is 377.01 g/mol.
Where can I buy Bionet1_002145?
You can request a quote for Bionet1_002145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002145?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.