1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
TL;DR: 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CAS 424803-92-9) is a chemical compound with molecular formula C21H14ClN5O3S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: BIM-0043119.P001, 1-(4-chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone, 1-(4-chlorophenyl)-2-(4-nitrophenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
| Molecular Formula | C21H14ClN5O3S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.9402 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0506 |
| Heavy Atoms | 31 |
| Complexity | 1214.0209 |
Chemical Identifiers
| CAS Number | 424803-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CAS 424803-92-9), with molecular formula C21H14ClN5O3S and molecular weight 451.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Property Insights of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
The XLogP value of 4.9402 indicates that 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has 0 hydrogen bond donor(s) and 7 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-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The CAS number of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is 424803-92-9.
What is the molecular formula of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is C21H14ClN5O3S.
What is the molecular weight of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is 451.05 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone 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-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.