RefChem:319386
TL;DR: RefChem:319386 (CAS 72004-08-1) is a chemical compound with molecular formula C42H82Br2N2 and molecular weight 772.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azanium dibromide
Also Known As: Ammonium, hexamethylenebis(1-methyl-3-(2-methylspiro(5.5)undecyl)propyl)bis(dimethyl-, dibromide, trihydrate, 6-[Dimethyl-[4-(2-methylspiro[5.5]undecan-1-yl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2-methylspiro[5.5]undecan-1-yl)butan-2-yl]azaniumdibromide, AMMONIUM, HEXAMETHYLENEBIS(1-METHYL-3-(2-METHYLSPIRO(5.5)UNDECYL)PROPYL)BIS(DIME, 1,6-Hexanediaminium, N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2-methylspiro[5.5]undec-1-yl)propyl]-, dibromide, trihydrate, 6-[dimethyl-[4-(10-methylspiro[5.5]undecan-11-yl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(10-methylspiro[5.5]undecan-11-yl)butan-2-yl]azanium dibromide
| Molecular Formula | C42H82Br2N2 |
|---|---|
| Molecular Weight | 772.48 g/mol |
| LogP | 5.82 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 774.4824 |
| Heavy Atoms | 46 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 72004-08-1 |
|---|---|
| SMILES | CC1CCCC2(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC3C(CCCC34CCCCC4)C)CCCCC2.[Br-].[Br-] |
| InChIKey | IHKYYLASULOGFK-UHFFFAOYSA-L |
Product Overview
RefChem:319386 (CAS 72004-08-1), with molecular formula C42H82Br2N2 and molecular weight 772.48 g/mol. IUPAC: 6-[dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azanium dibromide.
Chemical Property Profile of RefChem:319386
Property Insights of RefChem:319386
The XLogP value of 5.82 indicates that RefChem:319386 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:319386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319386 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:319386?
The CAS number of RefChem:319386 is 72004-08-1.
What is the molecular formula of RefChem:319386?
The molecular formula of RefChem:319386 is C42H82Br2N2.
What is the molecular weight of RefChem:319386?
The molecular weight of RefChem:319386 is 772.48 g/mol.
Where can I buy RefChem:319386?
You can request a quote for RefChem:319386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.