4-((2-Chloroethyl)ethylamino)-o-tolualdehyde
TL;DR: 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde (CAS 92-10-4) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethyl(ethyl)amino]-2-methylbenzaldehyde
Also Known As: 4-((2-Chloroethyl)(ethyl)amino)-2-methylbenzaldehyde, 4-[2-chloroethyl(ethyl)amino]-2-methylbenzaldehyde, 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde, 5559AC, 4-[(2-chloroethyl)ethylamino]-o-tolualdehyde
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 92-10-4 |
|---|---|
| SMILES | CCN(CCCl)C1=CC(=C(C=C1)C=O)C |
| InChIKey | VPQJPICTQVMGOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Chloroethyl)ethylamino)-o-tolualdehyde (CAS 92-10-4), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: 4-[2-chloroethyl(ethyl)amino]-2-methylbenzaldehyde.
Chemical Property Profile of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde
Property Insights of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde. With a topological polar surface area (TPSA) of 20.3 Ų, 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde has 0 hydrogen bond donor(s) and 2 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 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde?
The CAS number of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde is 92-10-4.
What is the molecular formula of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde?
The molecular formula of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde is C12H16ClNO.
What is the molecular weight of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde?
The molecular weight of 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde is 225.09 g/mol.
Where can I buy 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde?
You can request a quote for 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chloroethyl)ethylamino)-o-tolualdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.