Bionet1_000535
TL;DR: Bionet1_000535 (CAS 477853-18-2) is a chemical compound with molecular formula C16H14Cl2N4OS and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: Bionet1_000535, 11E-366S, 1-(2,4-dichlorobenzyl)-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2(1H)-pyridinone, 1-[(2,4-dichlorophenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one, 1-[(2,4-dichlorophenyl)methyl]-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
| Molecular Formula | C16H14Cl2N4OS |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 3.7208 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.02655 |
| Heavy Atoms | 24 |
| Complexity | 951.4907 |
Chemical Identifiers
| CAS Number | 477853-18-2 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=CC=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
Bionet1_000535 (CAS 477853-18-2), with molecular formula C16H14Cl2N4OS and molecular weight 380.03 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of Bionet1_000535
Property Insights of Bionet1_000535
The XLogP value of 3.7208 indicates that Bionet1_000535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, Bionet1_000535 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000535 has 0 hydrogen bond donor(s) and 4 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_000535?
The CAS number of Bionet1_000535 is 477853-18-2.
What is the molecular formula of Bionet1_000535?
The molecular formula of Bionet1_000535 is C16H14Cl2N4OS.
What is the molecular weight of Bionet1_000535?
The molecular weight of Bionet1_000535 is 380.03 g/mol.
Where can I buy Bionet1_000535?
You can request a quote for Bionet1_000535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000535?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.