(E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime
TL;DR: (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime (CAS 896855-87-1) is a chemical compound with molecular formula C13H13Cl2N5O2 and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] N-(3,4-dichlorophenyl)carbamate
Also Known As: (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime, [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] N-(3,4-dichlorophenyl)carbamate
| Molecular Formula | C13H13Cl2N5O2 |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.5545 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.04462 |
| Heavy Atoms | 22 |
| Complexity | 685.74384 |
Chemical Identifiers
| CAS Number | 896855-87-1 |
|---|---|
| SMILES | CC(C)(/C=N/OC(=O)NC1=CC(=C(C=C1)Cl)Cl)N2C=NC=N2 |
Product Overview
(E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime (CAS 896855-87-1), with molecular formula C13H13Cl2N5O2 and molecular weight 341.04 g/mol. IUPAC: [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime
Property Insights of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime
The XLogP value of 3.5545 indicates that (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime. Following Lipinski's Rule of Five, (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime has 1 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 (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime?
The CAS number of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime is 896855-87-1.
What is the molecular formula of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime?
The molecular formula of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime is C13H13Cl2N5O2.
What is the molecular weight of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime?
The molecular weight of (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime is 341.04 g/mol.
Where can I buy (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime?
You can request a quote for (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propanal O-((3,4-dichlorophenyl)carbamoyl) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.