2-Heptadecyl-1H-imidazole-4-carbodithioic acid
TL;DR: 2-Heptadecyl-1H-imidazole-4-carbodithioic acid (CAS 84255-38-9) is a chemical compound with molecular formula C21H38N2S2 and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptadecyl-1H-imidazole-5-carbodithioic acid
Also Known As: 2-Heptadecyl-1H-imidazole-4-carbodithioic acid, EINECS 282-587-5, 2-heptadecyl-1H-imidazole-5-carbodithioic acid, 2-heptadecylimidazole-4-dithiocarboxylic acid, 2-n-Heptadecylimidazole-4-dithiocarboxylic acid
| Molecular Formula | C21H38N2S2 |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 7.4289 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 382.24765 |
| Heavy Atoms | 25 |
| Complexity | 442.85938 |
Chemical Identifiers
| CAS Number | 84255-38-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NC=C(N1)C(=S)S |
Product Overview
2-Heptadecyl-1H-imidazole-4-carbodithioic acid (CAS 84255-38-9), with molecular formula C21H38N2S2 and molecular weight 382.25 g/mol. IUPAC: 2-heptadecyl-1H-imidazole-5-carbodithioic acid.
Chemical Property Profile of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid
Property Insights of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid
The XLogP value of 7.4289 indicates that 2-Heptadecyl-1H-imidazole-4-carbodithioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-Heptadecyl-1H-imidazole-4-carbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptadecyl-1H-imidazole-4-carbodithioic acid has 2 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 2-Heptadecyl-1H-imidazole-4-carbodithioic acid?
The CAS number of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid is 84255-38-9.
What is the molecular formula of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid?
The molecular formula of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid is C21H38N2S2.
What is the molecular weight of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid?
The molecular weight of 2-Heptadecyl-1H-imidazole-4-carbodithioic acid is 382.25 g/mol.
Where can I buy 2-Heptadecyl-1H-imidazole-4-carbodithioic acid?
You can request a quote for 2-Heptadecyl-1H-imidazole-4-carbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadecyl-1H-imidazole-4-carbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadecyl-1H-imidazole-4-carbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.