Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride
TL;DR: Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride (CAS 63991-01-5) is a chemical compound with molecular formula C22H30Cl3NS and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(benzylsulfanylmethyl)cyclohexyl]-N-[(2-chlorophenyl)methyl]methanamine;dihydrochloride
Also Known As: N-(4-(Benzylthiomethyl)cyclohexyl)methyl-2-chlorobenzylamine dihydrochloride, Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride, 1-{4-[(benzylsulfanyl)methyl]cyclohexyl}-n-(2-chlorobenzyl)methanamine dihydrochloride, 1-[4-(benzylsulfanylmethyl)cyclohexyl]-N-[(2-chlorophenyl)methyl]methanamine dihydrochloride, 1-{4-[(Benzylsulfanyl)methyl]cyclohexyl}-N-[(2-chlorophenyl)methyl]methanamine--hydrogen chloride (1/2)
| Molecular Formula | C22H30Cl3NS |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 7.01 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.11646 |
| Heavy Atoms | 27 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 63991-01-5 |
|---|---|
| SMILES | C1CC(CCC1CNCC2=CC=CC=C2Cl)CSCC3=CC=CC=C3.Cl.Cl |
| InChIKey | KOGSSBYYHIUOLQ-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride (CAS 63991-01-5), with molecular formula C22H30Cl3NS and molecular weight 445.12 g/mol. IUPAC: 1-[4-(benzylsulfanylmethyl)cyclohexyl]-N-[(2-chlorophenyl)methyl]methanamine;dihydrochloride.
Chemical Property Profile of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride
Property Insights of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride
The XLogP value of 7.01 indicates that Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride has 3 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 Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride?
The CAS number of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride is 63991-01-5.
What is the molecular formula of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride?
The molecular formula of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride is C22H30Cl3NS.
What is the molecular weight of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride?
The molecular weight of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride is 445.12 g/mol.
Where can I buy Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride?
You can request a quote for Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-2-chloro-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.