RefChem:319367
TL;DR: RefChem:319367 (CAS 66967-68-8) is a chemical compound with molecular formula C37H72Br2N2 and molecular weight 702.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide
Also Known As: Ammonium, heptamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, dihydrate, 7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide, AMMONIUM, HEPTAMETHYLENEBIS(1-METHYL-3-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PROPYL, 1,7-Heptanediaminium, N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl]-, dibromide, dihydrate, N~1~,N~1~,N~7~,N~7~-Tetramethyl-N~1~,N~7~-bis[4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]heptane-1,7-bis(aminium) dibromide
| Molecular Formula | C37H72Br2N2 |
|---|---|
| Molecular Weight | 702.41 g/mol |
| LogP | 4.49 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 704.4042 |
| Heavy Atoms | 41 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 66967-68-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCCCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C.[Br-].[Br-] |
| InChIKey | XYJMTCZYDYVHFM-UHFFFAOYSA-L |
Product Overview
RefChem:319367 (CAS 66967-68-8), with molecular formula C37H72Br2N2 and molecular weight 702.41 g/mol. IUPAC: 7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide.
Chemical Property Profile of RefChem:319367
Property Insights of RefChem:319367
The XLogP value of 4.49 indicates that RefChem:319367 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:319367 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319367 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:319367?
The CAS number of RefChem:319367 is 66967-68-8.
What is the molecular formula of RefChem:319367?
The molecular formula of RefChem:319367 is C37H72Br2N2.
What is the molecular weight of RefChem:319367?
The molecular weight of RefChem:319367 is 702.41 g/mol.
Where can I buy RefChem:319367?
You can request a quote for RefChem:319367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319367?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.