Bionet1_000179
TL;DR: Bionet1_000179 (CAS 303995-40-6) is a chemical compound with molecular formula C16H16F3N3O2S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
Also Known As: Bionet1_000179, DivK1c_002195, CDS1_001155, 3-(2,2-dimethoxyethyl)-5-(2-propynylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole, 12B-053
| Molecular Formula | C16H16F3N3O2S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.1728 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.09152 |
| Heavy Atoms | 25 |
| Complexity | 751.8137 |
Chemical Identifiers
| CAS Number | 303995-40-6 |
|---|---|
| SMILES | COC(CC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)SCC#C)OC |
Product Overview
Bionet1_000179 (CAS 303995-40-6), with molecular formula C16H16F3N3O2S and molecular weight 371.09 g/mol. IUPAC: 3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
Chemical Property Profile of Bionet1_000179
Property Insights of Bionet1_000179
The XLogP value of 3.1728 indicates that Bionet1_000179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, Bionet1_000179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000179 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_000179?
The CAS number of Bionet1_000179 is 303995-40-6.
What is the molecular formula of Bionet1_000179?
The molecular formula of Bionet1_000179 is C16H16F3N3O2S.
What is the molecular weight of Bionet1_000179?
The molecular weight of Bionet1_000179 is 371.09 g/mol.
Where can I buy Bionet1_000179?
You can request a quote for Bionet1_000179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000179?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.