RefChem:369423
TL;DR: RefChem:369423 (CAS 22953-42-0) is a chemical compound with molecular formula C18H16Br2F3NO2 and molecular weight 492.94998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[bis(2-bromoethyl)amino]phenyl] 4-(trifluoromethyl)benzoate
Also Known As: 4-[bis(2-bromoethyl)amino]phenyl 4-(trifluoromethyl)benzoate, p-(Bis(2-bromoethyl)amino)phenol p-(alpha,alpha,alpha-trifluoromethyl)benzoate, p-(Bis(2-bromoethyl)amino)phenyl p-(alpha,alpha,alpha-trifluoromethyl)benzoate, Benzoic acid, p-(alpha,alpha,alpha-trifluoromethyl)-, p-(bis(2-bromoethyl)amino)phenyl ester, Phenol, p-(bis(2-bromoethyl)amino)-, p-(alpha,alpha,alpha-trifluoromethyl)benzoate
Technical Specifications
| Molecular Formula | C18H16Br2F3NO2 |
| Molecular Weight | 492.94998 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.94794 Da |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)C(F)(F)F |
| InChIKey | JJWKNGOUNQRAIP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:369423
Property Insights of RefChem:369423
The XLogP value of 5.9 indicates that RefChem:369423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:369423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369423 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:369423?
The CAS number of RefChem:369423 is 22953-42-0.
What is the molecular formula of RefChem:369423?
The molecular formula of RefChem:369423 is C18H16Br2F3NO2.
What is the molecular weight of RefChem:369423?
The molecular weight of RefChem:369423 is 492.94998 g/mol.
Where can I buy RefChem:369423?
You can request a quote for RefChem:369423 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:369423?
Yes, CoreyChem provides custom synthesis services for RefChem:369423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.