RefChem:322676
TL;DR: RefChem:322676 (CAS 80784-98-1) is a chemical compound with molecular formula C28H37Br2N3O and molecular weight 589.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]propyl-di(propan-2-yl)azanium dibromide
Also Known As: Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-phenyl-, dihydrobromide, N-(p-(3-(Diisopropylamino)propoxy)phenyl)-N'-phenyl-benzamidine dihydrobromide, 3-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]propyl-di(propan-2-yl)azanium dibromide, RefChem:322676
| Molecular Formula | C28H37Br2N3O |
|---|---|
| Molecular Weight | 589.13 g/mol |
| LogP | -2.56 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 591.1283 |
| Heavy Atoms | 34 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 80784-98-1 |
|---|---|
| SMILES | CC(C)[NH+](CCCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C.[Br-].[Br-] |
| InChIKey | VNSGEGGEJJYXTJ-UHFFFAOYSA-N |
Product Overview
RefChem:322676 (CAS 80784-98-1), with molecular formula C28H37Br2N3O and molecular weight 589.13 g/mol. IUPAC: 3-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]propyl-di(propan-2-yl)azanium dibromide.
Chemical Property Profile of RefChem:322676
Property Insights of RefChem:322676
The XLogP value of -2.56 indicates that RefChem:322676 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:322676 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322676 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322676?
The CAS number of RefChem:322676 is 80784-98-1.
What is the molecular formula of RefChem:322676?
The molecular formula of RefChem:322676 is C28H37Br2N3O.
What is the molecular weight of RefChem:322676?
The molecular weight of RefChem:322676 is 589.13 g/mol.
Where can I buy RefChem:322676?
You can request a quote for RefChem:322676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322676?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.