4-((2-Chloroethyl)methylamino)benzaldehyde
TL;DR: 4-((2-Chloroethyl)methylamino)benzaldehyde (CAS 94-31-5) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethyl(methyl)amino]benzaldehyde
Also Known As: 4-((2-CHLOROETHYL)(METHYL)AMINO)BENZALDEHYDE, Ethyl p-anisate, CEMAB, p-Anisic Acid Ethyl Ester, 4-[2-chloroethyl(methyl)amino]benzaldehyde
| Molecular Formula | C10H12ClNO |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.06075 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 94-31-5 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)C=O |
| InChIKey | IYFULQJDHJGQKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Chloroethyl)methylamino)benzaldehyde (CAS 94-31-5), with molecular formula C10H12ClNO and molecular weight 197.06 g/mol. IUPAC: 4-[2-chloroethyl(methyl)amino]benzaldehyde.
Chemical Property Profile of 4-((2-Chloroethyl)methylamino)benzaldehyde
Property Insights of 4-((2-Chloroethyl)methylamino)benzaldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Chloroethyl)methylamino)benzaldehyde. With a topological polar surface area (TPSA) of 20.3 Ų, 4-((2-Chloroethyl)methylamino)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chloroethyl)methylamino)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 4-((2-Chloroethyl)methylamino)benzaldehyde?
The CAS number of 4-((2-Chloroethyl)methylamino)benzaldehyde is 94-31-5.
What is the molecular formula of 4-((2-Chloroethyl)methylamino)benzaldehyde?
The molecular formula of 4-((2-Chloroethyl)methylamino)benzaldehyde is C10H12ClNO.
What is the molecular weight of 4-((2-Chloroethyl)methylamino)benzaldehyde?
The molecular weight of 4-((2-Chloroethyl)methylamino)benzaldehyde is 197.06 g/mol.
Where can I buy 4-((2-Chloroethyl)methylamino)benzaldehyde?
You can request a quote for 4-((2-Chloroethyl)methylamino)benzaldehyde 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)methylamino)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chloroethyl)methylamino)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.