p-(Butyl(2-chloroethyl)amino)benzaldehyde
TL;DR: p-(Butyl(2-chloroethyl)amino)benzaldehyde (CAS 4157-74-8) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[butyl(2-chloroethyl)amino]benzaldehyde
Also Known As: 4-[butyl(2-chloroethyl)amino]benzaldehyde, p-(Butyl(2-chloroethyl)amino)benzaldehyde, p-[butyl(2-chloroethyl)amino]benzaldehyde, Benzaldehyde, 4-(butyl(2-chloroethyl)amino)-, Benzaldehyde, 4-[butyl(2-chloroethyl)amino]-
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 4157-74-8 |
|---|---|
| SMILES | CCCCN(CCCl)C1=CC=C(C=C1)C=O |
| InChIKey | LYOQXOPZIYLCTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-(Butyl(2-chloroethyl)amino)benzaldehyde (CAS 4157-74-8), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 4-[butyl(2-chloroethyl)amino]benzaldehyde.
Chemical Property Profile of p-(Butyl(2-chloroethyl)amino)benzaldehyde
Property Insights of p-(Butyl(2-chloroethyl)amino)benzaldehyde
The XLogP value of 3.3 indicates that p-(Butyl(2-chloroethyl)amino)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, p-(Butyl(2-chloroethyl)amino)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(Butyl(2-chloroethyl)amino)benzaldehyde 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 p-(Butyl(2-chloroethyl)amino)benzaldehyde?
The CAS number of p-(Butyl(2-chloroethyl)amino)benzaldehyde is 4157-74-8.
What is the molecular formula of p-(Butyl(2-chloroethyl)amino)benzaldehyde?
The molecular formula of p-(Butyl(2-chloroethyl)amino)benzaldehyde is C13H18ClNO.
What is the molecular weight of p-(Butyl(2-chloroethyl)amino)benzaldehyde?
The molecular weight of p-(Butyl(2-chloroethyl)amino)benzaldehyde is 239.11 g/mol.
Where can I buy p-(Butyl(2-chloroethyl)amino)benzaldehyde?
You can request a quote for p-(Butyl(2-chloroethyl)amino)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(Butyl(2-chloroethyl)amino)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for p-(Butyl(2-chloroethyl)amino)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.