BAS 00546184
TL;DR: BAS 00546184 (CAS 13136-33-9) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,4-diphenyl-1,2,4-triazole-3-thione
Also Known As: BAS 00546184, 5-methyl-2,4-diphenyl-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-2,4-diphenyl-, 5-Methyl-2,4-diphenyl-2,4-dihydro-[1,2,4]triazole-3-thione, 3-methyl-1,4-diphenyl-1,2,4-triazoline-5-thione
| Molecular Formula | C15H13N3S |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.083 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 13136-33-9 |
|---|---|
| SMILES | CC1=NN(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YFJOVPCPKPSCCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00546184 (CAS 13136-33-9), with molecular formula C15H13N3S and molecular weight 267.08 g/mol. IUPAC: 5-methyl-2,4-diphenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of BAS 00546184
Property Insights of BAS 00546184
The XLogP value of 3.3 indicates that BAS 00546184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, BAS 00546184 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00546184 has 0 hydrogen bond donor(s) and 2 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 BAS 00546184?
The CAS number of BAS 00546184 is 13136-33-9.
What is the molecular formula of BAS 00546184?
The molecular formula of BAS 00546184 is C15H13N3S.
What is the molecular weight of BAS 00546184?
The molecular weight of BAS 00546184 is 267.08 g/mol.
Where can I buy BAS 00546184?
You can request a quote for BAS 00546184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00546184?
Yes, KEHONG BIO provides custom synthesis services for BAS 00546184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.