BAS 00792547
TL;DR: BAS 00792547 (CAS 305337-53-5) is a chemical compound with molecular formula C17H22ClN3OS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00792547, 3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione, 5-[(4-chloro-2-isopropyl-5-methylphenoxy)methyl]-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 5-{[4-chloro-5-methyl-2-(methylethyl)phenoxy]methyl}-4-(2-methylprop-2-enyl)-1 ,2,4-triazole-3-thiol
| Molecular Formula | C17H22ClN3OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 5.18101 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.11722 |
| Heavy Atoms | 23 |
| Complexity | 776.63104 |
Chemical Identifiers
| CAS Number | 305337-53-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=NNC(=S)N2CC(=C)C |
Product Overview
BAS 00792547 (CAS 305337-53-5), with molecular formula C17H22ClN3OS and molecular weight 351.12 g/mol. IUPAC: 3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 00792547
Property Insights of BAS 00792547
The XLogP value of 5.18101 indicates that BAS 00792547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, BAS 00792547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00792547 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00792547?
The CAS number of BAS 00792547 is 305337-53-5.
What is the molecular formula of BAS 00792547?
The molecular formula of BAS 00792547 is C17H22ClN3OS.
What is the molecular weight of BAS 00792547?
The molecular weight of BAS 00792547 is 351.12 g/mol.
Where can I buy BAS 00792547?
You can request a quote for BAS 00792547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00792547?
Yes, KEHONG BIO provides custom synthesis services for BAS 00792547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.