RefChem:1090228
TL;DR: RefChem:1090228 (CAS 1245-82-5) is a chemical compound with molecular formula C22H30Br2Cl2N2 and molecular weight 550.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromophenyl)methyl]-1-[4-[[(2-bromophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Also Known As: trans-N,N'-Bis(2-bromobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride, 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-bromobenzyl)-, dihydrochloride, (E)-, 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-bromobenzyl)-, dihydrochloride, (Z)-, Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-bromo-, dihydrochloride, (E)-, cyclohexane-1,4-diylbis[n-(2-bromobenzyl)methanamine] dihydrochloride
| Molecular Formula | C22H30Br2Cl2N2 |
|---|---|
| Molecular Weight | 550.02 g/mol |
| LogP | 6.74 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.01324 |
| Heavy Atoms | 28 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 1245-82-5 |
|---|---|
| SMILES | C1CC(CCC1CNCC2=CC=CC=C2Br)CNCC3=CC=CC=C3Br.Cl.Cl |
| InChIKey | AFCKBLSDCKJRLH-UHFFFAOYSA-N |
Product Overview
RefChem:1090228 (CAS 1245-82-5), with molecular formula C22H30Br2Cl2N2 and molecular weight 550.02 g/mol. IUPAC: N-[(2-bromophenyl)methyl]-1-[4-[[(2-bromophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride.
Chemical Property Profile of RefChem:1090228
Property Insights of RefChem:1090228
The XLogP value of 6.74 indicates that RefChem:1090228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, RefChem:1090228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090228 has 4 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:1090228?
The CAS number of RefChem:1090228 is 1245-82-5.
What is the molecular formula of RefChem:1090228?
The molecular formula of RefChem:1090228 is C22H30Br2Cl2N2.
What is the molecular weight of RefChem:1090228?
The molecular weight of RefChem:1090228 is 550.02 g/mol.
Where can I buy RefChem:1090228?
You can request a quote for RefChem:1090228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090228?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.