RefChem:322663
TL;DR: RefChem:322663 (CAS 80785-18-8) is a chemical compound with molecular formula C28H34Br2F3N3O and molecular weight 643.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide
Also Known As: Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(alpha,alpha,alpha-fluoro-m-tolyl)-,dihydrochloride, 2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide, BENZAMIDINE, N-(p-(2-(DIISOPROPYLAMINO)ETHOXY)PHENYL)-N'-(alpha,alpha,alpha-FLUO, RefChem:322663
| Molecular Formula | C28H34Br2F3N3O |
|---|---|
| Molecular Weight | 643.10 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 645.10004 |
| Heavy Atoms | 37 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 80785-18-8 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(C)C.[Br-].[Br-] |
| InChIKey | ZHODSMJMIBBDHE-UHFFFAOYSA-N |
Product Overview
RefChem:322663 (CAS 80785-18-8), with molecular formula C28H34Br2F3N3O and molecular weight 643.10 g/mol. IUPAC: 2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide.
Chemical Property Profile of RefChem:322663
Property Insights of RefChem:322663
The XLogP value of -1.94 indicates that RefChem:322663 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.7 Ų, RefChem:322663 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322663 has 3 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:322663?
The CAS number of RefChem:322663 is 80785-18-8.
What is the molecular formula of RefChem:322663?
The molecular formula of RefChem:322663 is C28H34Br2F3N3O.
What is the molecular weight of RefChem:322663?
The molecular weight of RefChem:322663 is 643.10 g/mol.
Where can I buy RefChem:322663?
You can request a quote for RefChem:322663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322663?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.