1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
TL;DR: 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone (CAS 326014-61-3) is a chemical compound with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
Also Known As: 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone, AF-399/14738025, 1-(4-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone, 1-(4-chlorophenyl)-2-{[1-(3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one, F0790-0022
| Molecular Formula | C16H13ClN4OS |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.59912 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.04987 |
| Heavy Atoms | 23 |
| Complexity | 832.10645 |
Chemical Identifiers
| CAS Number | 326014-61-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone (CAS 326014-61-3), with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
Property Insights of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
The XLogP value of 3.59912 indicates that 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone 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 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The CAS number of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is 326014-61-3.
What is the molecular formula of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is C16H13ClN4OS.
What is the molecular weight of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is 344.05 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.