RefChem:1078146
TL;DR: RefChem:1078146 (CAS 80785-02-0) is a chemical compound with molecular formula C29H31Br2N3O and molecular weight 595.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]ethyl-benzyl-methylazanium dibromide
Also Known As: Benzamidine, N-(p-(2-(benzylmethylamino)ethoxy)phenyl)-N'-phenyl-, dihydrobromide, hydrate, 2-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]ethyl-benzyl-methylazanium dibromide, N-(p-(2-(Benzylmethylamino)ethoxy)phenyl)-N'-phenyl-benzamidine dihydrobromide hydrate, RefChem:1078146
| Molecular Formula | C29H31Br2N3O |
|---|---|
| Molecular Weight | 595.08 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.08136 |
| Heavy Atoms | 35 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 80785-02-0 |
|---|---|
| SMILES | C[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-] |
| InChIKey | DZRIPTSVTWDCCA-UHFFFAOYSA-N |
Product Overview
RefChem:1078146 (CAS 80785-02-0), with molecular formula C29H31Br2N3O and molecular weight 595.08 g/mol. IUPAC: 2-[4-[anilino(phenyl)methylidene]azaniumylphenoxy]ethyl-benzyl-methylazanium dibromide.
Chemical Property Profile of RefChem:1078146
Property Insights of RefChem:1078146
The XLogP value of -2.94 indicates that RefChem:1078146 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:1078146 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078146 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:1078146?
The CAS number of RefChem:1078146 is 80785-02-0.
What is the molecular formula of RefChem:1078146?
The molecular formula of RefChem:1078146 is C29H31Br2N3O.
What is the molecular weight of RefChem:1078146?
The molecular weight of RefChem:1078146 is 595.08 g/mol.
Where can I buy RefChem:1078146?
You can request a quote for RefChem:1078146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078146?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.