Bionet1_000533
TL;DR: Bionet1_000533 (CAS 242471-94-9) is a chemical compound with molecular formula C17H14Cl2N4OS and molecular weight 392.03 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-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: Bionet1_000533, 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(2,4-dichlorobenzyl)-2(1H)-pyridinone, 1-[(2,4-dichlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one, 1-[(2,4-dichlorophenyl)methyl]-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one, 3-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
| Molecular Formula | C17H14Cl2N4OS |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 4.31049 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.02655 |
| Heavy Atoms | 25 |
| Complexity | 1051.2867 |
Chemical Identifiers
| CAS Number | 242471-94-9 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
Bionet1_000533 (CAS 242471-94-9), with molecular formula C17H14Cl2N4OS and molecular weight 392.03 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of Bionet1_000533
Property Insights of Bionet1_000533
The XLogP value of 4.31049 indicates that Bionet1_000533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, Bionet1_000533 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000533 has 1 hydrogen bond donor(s) and 3 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_000533?
The CAS number of Bionet1_000533 is 242471-94-9.
What is the molecular formula of Bionet1_000533?
The molecular formula of Bionet1_000533 is C17H14Cl2N4OS.
What is the molecular weight of Bionet1_000533?
The molecular weight of Bionet1_000533 is 392.03 g/mol.
Where can I buy Bionet1_000533?
You can request a quote for Bionet1_000533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000533?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.