RefChem:319452
TL;DR: RefChem:319452 (CAS 66827-14-3) is a chemical compound with molecular formula C35H72Br2N2 and molecular weight 678.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide
Also Known As: Ammonium, pentamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, Pentamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium bromide), 5-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide, 1,5-Pentanediaminium, N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, dibromide, N~1~,N~1~,N~5~,N~5~-Tetramethyl-N~1~,N~5~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]pentane-1,5-bis(aminium) dibromide
| Molecular Formula | C35H72Br2N2 |
|---|---|
| Molecular Weight | 678.41 g/mol |
| LogP | 3.58 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 680.4042 |
| Heavy Atoms | 39 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 66827-14-3 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C.[Br-].[Br-] |
| InChIKey | YJTPVDBFPNMAMJ-UHFFFAOYSA-L |
Product Overview
RefChem:319452 (CAS 66827-14-3), with molecular formula C35H72Br2N2 and molecular weight 678.41 g/mol. IUPAC: 5-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide.
Chemical Property Profile of RefChem:319452
Property Insights of RefChem:319452
The XLogP value of 3.58 indicates that RefChem:319452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:319452 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319452 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319452?
The CAS number of RefChem:319452 is 66827-14-3.
What is the molecular formula of RefChem:319452?
The molecular formula of RefChem:319452 is C35H72Br2N2.
What is the molecular weight of RefChem:319452?
The molecular weight of RefChem:319452 is 678.41 g/mol.
Where can I buy RefChem:319452?
You can request a quote for RefChem:319452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.