RefChem:369415
TL;DR: RefChem:369415 (CAS 22953-41-9) is a chemical compound with molecular formula C18H16Br2F3NO2 and molecular weight 492.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate
Also Known As: 4-[bis(2-bromoethyl)amino]phenyl 3-(trifluoromethyl)benzoate, p-(Bis(2-bromoethyl)amino)phenol m-(alpha,alpha,alpha-trifluoromethyl)benzoate, p-(Bis(2-bromoethyl)amino)phenyl m-(alpha,alpha,alpha-trifluoromethyl)benzoate, Phenol, p-(bis(2-bromoethyl)amino)-, m-(alpha,alpha,alpha-trifluoromethyl)benzoate, [4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate
| Molecular Formula | C18H16Br2F3NO2 |
|---|---|
| Molecular Weight | 492.95 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.94794 |
| Heavy Atoms | 26 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 22953-41-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr |
| InChIKey | KEUDYNSIGHFSQH-UHFFFAOYSA-N |
Product Overview
RefChem:369415 (CAS 22953-41-9), with molecular formula C18H16Br2F3NO2 and molecular weight 492.95 g/mol. IUPAC: [4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of RefChem:369415
Property Insights of RefChem:369415
The XLogP value of 5.9 indicates that RefChem:369415 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:369415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369415 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:369415?
The CAS number of RefChem:369415 is 22953-41-9.
What is the molecular formula of RefChem:369415?
The molecular formula of RefChem:369415 is C18H16Br2F3NO2.
What is the molecular weight of RefChem:369415?
The molecular weight of RefChem:369415 is 492.95 g/mol.
Where can I buy RefChem:369415?
You can request a quote for RefChem:369415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.