![4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde structure](/static/products/2124/212-41-9.webp)
4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde
TL;DR: 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde (CAS 212-41-9) is a chemical compound with molecular formula C12H12Cl2F3NO and molecular weight 313.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde
Also Known As: 4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde, 4-(Bis(2-chloroethyl)amino)-2-(trifluoromethyl)benzaldehyde
| Molecular Formula | C12H12Cl2F3NO |
|---|---|
| Molecular Weight | 313.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.0248 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 212-41-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)C(F)(F)F)C=O |
| InChIKey | KQZSBGJHPPTJDQ-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde (CAS 212-41-9), with molecular formula C12H12Cl2F3NO and molecular weight 313.02 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde
Property Insights of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde
The XLogP value of 3.6 indicates that 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)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, 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde has 0 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 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde?
The CAS number of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde is 212-41-9.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde is C12H12Cl2F3NO.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde is 313.02 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.