RefChem:319122
TL;DR: RefChem:319122 (CAS 28003-37-4) is a chemical compound with molecular formula C30H44Br2N4O4 and molecular weight 682.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Also Known As: Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide, 2,2'-(1,4-Phenylene)bis{N-[(2-cyano-2-hydroxycyclohexyl)methyl]-N,N-dimethyl-2-oxoethan-1-aminium} dibromide, RefChem:319122
| Molecular Formula | C30H44Br2N4O4 |
|---|---|
| Molecular Weight | 682.17 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 684.1709 |
| Heavy Atoms | 40 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 28003-37-4 |
|---|---|
| SMILES | C[N+](C)(CC1CCCCC1(C#N)O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)O.[Br-].[Br-] |
| InChIKey | XUUJYSXXRUOIIC-UHFFFAOYSA-L |
Product Overview
RefChem:319122 (CAS 28003-37-4), with molecular formula C30H44Br2N4O4 and molecular weight 682.17 g/mol. IUPAC: (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319122
Property Insights of RefChem:319122
The XLogP value of -2.9 indicates that RefChem:319122 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319122. Following Lipinski's Rule of Five, RefChem:319122 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319122?
The CAS number of RefChem:319122 is 28003-37-4.
What is the molecular formula of RefChem:319122?
The molecular formula of RefChem:319122 is C30H44Br2N4O4.
What is the molecular weight of RefChem:319122?
The molecular weight of RefChem:319122 is 682.17 g/mol.
Where can I buy RefChem:319122?
You can request a quote for RefChem:319122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319122?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.