![2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one structure](/static/products/6802/680214-61-3.webp)
2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one
TL;DR: 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one (CAS 680214-61-3) is a chemical compound with molecular formula C16H11Cl2N5O3 and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-chloro-4-methylphenyl)tetrazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethanone
Also Known As: 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one, 2-[5-(3-chloro-4-methylphenyl)tetrazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethanone, 1-(4-chloro-3-nitrophenyl)-2-[5-(3-chloro-4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone
| Molecular Formula | C16H11Cl2N5O3 |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | 3.74642 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.0239 |
| Heavy Atoms | 26 |
| Complexity | 1018.8699 |
Chemical Identifiers
| CAS Number | 680214-61-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl |
Product Overview
2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one (CAS 680214-61-3), with molecular formula C16H11Cl2N5O3 and molecular weight 391.02 g/mol. IUPAC: 2-[5-(3-chloro-4-methylphenyl)tetrazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethanone.
Chemical Property Profile of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one
Property Insights of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one
The XLogP value of 3.74642 indicates that 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one 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 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one has 0 hydrogen bond donor(s) and 6 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 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one?
The CAS number of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one is 680214-61-3.
What is the molecular formula of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one?
The molecular formula of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one is C16H11Cl2N5O3.
What is the molecular weight of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one?
The molecular weight of 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one is 391.02 g/mol.
Where can I buy 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one?
You can request a quote for 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-chloro-4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]-1-(4-chloro-3-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.