Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride
TL;DR: Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride (CAS 63991-02-6) is a chemical compound with molecular formula C22H31Cl2NS and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-[4-(benzylsulfanylmethyl)cyclohexyl]methanamine;dihydrochloride
Also Known As: Di(sec-butyl) azelaate, N-(4-(Benzylthiomethyl)cyclohexyl)methylbenzylamine dihydrochloride, Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride, n-benzyl-1-{4-[(benzylsulfanyl)methyl]cyclohexyl}methanamine dihydrochloride, N-benzyl-1-[4-(benzylsulfanylmethyl)cyclohexyl]methanamine dihydrochloride
| Molecular Formula | C22H31Cl2NS |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 6.36 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.15543 |
| Heavy Atoms | 26 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 63991-02-6 |
|---|---|
| SMILES | C1CC(CCC1CNCC2=CC=CC=C2)CSCC3=CC=CC=C3.Cl.Cl |
| InChIKey | YNIVVSNZEPMJMD-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride (CAS 63991-02-6), with molecular formula C22H31Cl2NS and molecular weight 411.16 g/mol. IUPAC: N-benzyl-1-[4-(benzylsulfanylmethyl)cyclohexyl]methanamine;dihydrochloride.
Chemical Property Profile of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride
Property Insights of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride
The XLogP value of 6.36 indicates that Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, 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-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, 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-, dihydrochloride?
The CAS number of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride is 63991-02-6.
What is the molecular formula of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride?
The molecular formula of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride is C22H31Cl2NS.
What is the molecular weight of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride?
The molecular weight of Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride is 411.16 g/mol.
Where can I buy Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride?
You can request a quote for Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, 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-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(4-(benzylthiomethyl)cyclohexyl)methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.