RefChem:322664
TL;DR: RefChem:322664 (CAS 80785-17-7) is a chemical compound with molecular formula C27H34Br2FN3O and molecular weight 593.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[(4-fluorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dibromide
Also Known As: Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)-, dihydrobromide, N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)benzamidine dihydrobromide, 2-[4-[[(4-fluorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dibromide, 2-[4-[[(4-FLUOROPHENYL)AZANIUMYLIDENE-PHENYL-METHYL]AMINO]PHENOXY]ETHY L-DIPROPAN-2-YL-AZANIUM DIBROMIDE, 2-[4-[[(4-fluorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium,dibromide
| Molecular Formula | C27H34Br2FN3O |
|---|---|
| Molecular Weight | 593.11 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 595.1032 |
| Heavy Atoms | 34 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 80785-17-7 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=C(C=C1)NC(=[NH+]C2=CC=C(C=C2)F)C3=CC=CC=C3)C(C)C.[Br-].[Br-] |
| InChIKey | HFKDIJWXCBQSQP-UHFFFAOYSA-N |
Product Overview
RefChem:322664 (CAS 80785-17-7), with molecular formula C27H34Br2FN3O and molecular weight 593.11 g/mol. IUPAC: 2-[4-[[(4-fluorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dibromide.
Chemical Property Profile of RefChem:322664
Property Insights of RefChem:322664
The XLogP value of -2.81 indicates that RefChem:322664 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:322664 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322664 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322664?
The CAS number of RefChem:322664 is 80785-17-7.
What is the molecular formula of RefChem:322664?
The molecular formula of RefChem:322664 is C27H34Br2FN3O.
What is the molecular weight of RefChem:322664?
The molecular weight of RefChem:322664 is 593.11 g/mol.
Where can I buy RefChem:322664?
You can request a quote for RefChem:322664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322664?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.