RefChem:319138
TL;DR: RefChem:319138 (CAS 77985-01-4) is a chemical compound with molecular formula C30H46Br2N2O4 and molecular weight 656.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide
Also Known As: Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide, 4,4'-Biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)ammonium) dibromide, [2-[4-[4-[2-(diethyl-(3-hydroxypropyl)azaniumyl)-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide, [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide, [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium,dibromide
| Molecular Formula | C30H46Br2N2O4 |
|---|---|
| Molecular Weight | 656.18 g/mol |
| LogP | -2.02 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 658.18036 |
| Heavy Atoms | 38 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 77985-01-4 |
|---|---|
| SMILES | CC[N+](CC)(CCCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CCCO.[Br-].[Br-] |
| InChIKey | DMJRBYKPCIQLSL-UHFFFAOYSA-L |
Product Overview
RefChem:319138 (CAS 77985-01-4), with molecular formula C30H46Br2N2O4 and molecular weight 656.18 g/mol. IUPAC: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide.
Chemical Property Profile of RefChem:319138
Property Insights of RefChem:319138
The XLogP value of -2.02 indicates that RefChem:319138 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319138. Following Lipinski's Rule of Five, RefChem:319138 has 2 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:319138?
The CAS number of RefChem:319138 is 77985-01-4.
What is the molecular formula of RefChem:319138?
The molecular formula of RefChem:319138 is C30H46Br2N2O4.
What is the molecular weight of RefChem:319138?
The molecular weight of RefChem:319138 is 656.18 g/mol.
Where can I buy RefChem:319138?
You can request a quote for RefChem:319138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.