1-(2-Chloroethyl)-3-methyl-3-acetyltriazene
TL;DR: 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene (CAS 113274-30-9) is a chemical compound with molecular formula C5H10ClN3O and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyldiazenyl)-N-methylacetamide
Also Known As: 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene, N-(2-chloroethyldiazenyl)-N-methylacetamide, 3-Acetyl-1-(2-chlorethyl)-3-methyltriazene, 1-Triazene, 3-acetyl-1-(2-chloroethyl)-3-methyl, 3-acetyl-1-(2-chloroethyl)-3-methyltriazene
| Molecular Formula | C5H10ClN3O |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.05124 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 113274-30-9 |
|---|---|
| SMILES | CC(=O)N(C)N=NCCCl |
| InChIKey | QEIMBUYAZCMEGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-3-methyl-3-acetyltriazene (CAS 113274-30-9), with molecular formula C5H10ClN3O and molecular weight 163.05 g/mol. IUPAC: N-(2-chloroethyldiazenyl)-N-methylacetamide.
Chemical Property Profile of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene
Property Insights of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene. With a topological polar surface area (TPSA) of 45.0 Ų, 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene has 0 hydrogen bond donor(s) and 3 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-(2-Chloroethyl)-3-methyl-3-acetyltriazene?
The CAS number of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene is 113274-30-9.
What is the molecular formula of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene?
The molecular formula of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene is C5H10ClN3O.
What is the molecular weight of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene?
The molecular weight of 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene is 163.05 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene?
You can request a quote for 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-methyl-3-acetyltriazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.