RefChem:322659
TL;DR: RefChem:322659 (CAS 80784-95-8) is a chemical compound with molecular formula C27H35Br2N3S and molecular weight 591.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide
Also Known As: Benzamidine, N-(p-((2-(diisopropylamino)ethyl)thio)phenyl)-N'-phenyl-, dihydrochloride, N-(p-((2-(Diisopropylamino)ethyl)thio)phenyl)-N'-phenyl-benzamidine dihydrochloride, 2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide, 2-[4-((PHENYLAMINO)-PHENYL-METHYLIDENE)AZANIUMYLPHENYL]SULFANYLETHYL-DIPROPA N-2-YL-AZANIUM DIBROMIDE, 2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium,dibromide
| Molecular Formula | C27H35Br2N3S |
|---|---|
| Molecular Weight | 591.09 g/mol |
| LogP | -2.24 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 593.0898 |
| Heavy Atoms | 33 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 80784-95-8 |
|---|---|
| SMILES | CC(C)[NH+](CCSC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C.[Br-].[Br-] |
| InChIKey | CXICPDHLXRKZQH-UHFFFAOYSA-N |
Product Overview
RefChem:322659 (CAS 80784-95-8), with molecular formula C27H35Br2N3S and molecular weight 591.09 g/mol. IUPAC: 2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide.
Chemical Property Profile of RefChem:322659
Property Insights of RefChem:322659
The XLogP value of -2.24 indicates that RefChem:322659 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.7 Ų, RefChem:322659 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322659 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:322659?
The CAS number of RefChem:322659 is 80784-95-8.
What is the molecular formula of RefChem:322659?
The molecular formula of RefChem:322659 is C27H35Br2N3S.
What is the molecular weight of RefChem:322659?
The molecular weight of RefChem:322659 is 591.09 g/mol.
Where can I buy RefChem:322659?
You can request a quote for RefChem:322659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.