RefChem:1053909
TL;DR: RefChem:1053909 (CAS 66969-02-6) is a chemical compound with molecular formula C26H48Br2Cl2N2O and molecular weight 632.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine);hydrate;dihydrochloride
Also Known As: C13H22BrN.ClH.1/2H2O, C13-H22-Br-N.Cl-H.1/2H2-O, 2-Bromo-N,N-dimethyl-1-adamantanemethanamine hydrochloride hemihydrate, 1-n,n-dimethyl-methanaminehydratedihydrochloride, Adamantane, 2-bromo-1-(N,N-dimethylaminomethyl)-, hydrochloride hemihydrate
| Molecular Formula | C26H48Br2Cl2N2O |
|---|---|
| Molecular Weight | 632.15 g/mol |
| LogP | 6.29 |
| Topological Polar Surface Area | 7.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 634.149 |
| Heavy Atoms | 33 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 66969-02-6 |
|---|---|
| SMILES | CN(C)CC12CC3CC(C1)CC(C3)C2Br.CN(C)CC12CC3CC(C1)CC(C3)C2Br.O.Cl.Cl |
| InChIKey | SDGBSUMWXQKCFN-UHFFFAOYSA-N |
Product Overview
RefChem:1053909 (CAS 66969-02-6), with molecular formula C26H48Br2Cl2N2O and molecular weight 632.15 g/mol. IUPAC: bis(1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine);hydrate;dihydrochloride.
Chemical Property Profile of RefChem:1053909
Property Insights of RefChem:1053909
The XLogP value of 6.29 indicates that RefChem:1053909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.5 Ų, RefChem:1053909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053909 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053909?
The CAS number of RefChem:1053909 is 66969-02-6.
What is the molecular formula of RefChem:1053909?
The molecular formula of RefChem:1053909 is C26H48Br2Cl2N2O.
What is the molecular weight of RefChem:1053909?
The molecular weight of RefChem:1053909 is 632.15 g/mol.
Where can I buy RefChem:1053909?
You can request a quote for RefChem:1053909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053909?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.