2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
TL;DR: 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate (CAS 650596-07-9) is a chemical compound with molecular formula C22H15Cl2N3O3 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate
Also Known As: 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate, [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate
| Molecular Formula | C22H15Cl2N3O3 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 4.8261 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.04904 |
| Heavy Atoms | 30 |
| Complexity | 1236.1053 |
Chemical Identifiers
| CAS Number | 650596-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate (CAS 650596-07-9), with molecular formula C22H15Cl2N3O3 and molecular weight 439.05 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate.
Chemical Property Profile of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
Property Insights of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
The XLogP value of 4.8261 indicates that 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate 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 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate?
The CAS number of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate is 650596-07-9.
What is the molecular formula of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate?
The molecular formula of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate is C22H15Cl2N3O3.
What is the molecular weight of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate?
The molecular weight of 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate is 439.05 g/mol.
Where can I buy 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate?
You can request a quote for 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.