RefChem:123444
TL;DR: RefChem:123444 (CAS 149-82-6) is a chemical compound with molecular formula C17H36N2S2 and molecular weight 332.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutylcarbamodithioic acid;N,N-dimethylcyclohexanamine
Also Known As: Cyclohexyldimethylammonium dibutyldithiocarbamate, N,N-DIMETHYLCYCLOHEXYLAMMONIUM DIBUTYLDITHIOCARBAMATE, n,n-dimethylcyclohexanaminium dibutylcarbamodithioate, dibutylcarbamodithioic acid;N,N-dimethylcyclohexanamine, dibutylcarbamodithioic acid,N,N-dimethylcyclohexanamine
| Molecular Formula | C17H36N2S2 |
|---|---|
| Molecular Weight | 332.23 g/mol |
| LogP | 4.98 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.232 |
| Heavy Atoms | 21 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 149-82-6 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)S.CN(C)C1CCCCC1 |
| InChIKey | APWMBANPMBFWLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:123444 (CAS 149-82-6), with molecular formula C17H36N2S2 and molecular weight 332.23 g/mol. IUPAC: dibutylcarbamodithioic acid;N,N-dimethylcyclohexanamine.
Chemical Property Profile of RefChem:123444
Property Insights of RefChem:123444
The XLogP value of 4.98 indicates that RefChem:123444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.6 Ų, RefChem:123444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:123444 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:123444?
The CAS number of RefChem:123444 is 149-82-6.
What is the molecular formula of RefChem:123444?
The molecular formula of RefChem:123444 is C17H36N2S2.
What is the molecular weight of RefChem:123444?
The molecular weight of RefChem:123444 is 332.23 g/mol.
Where can I buy RefChem:123444?
You can request a quote for RefChem:123444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.