1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)
TL;DR: 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) (CAS 21054-72-8) is a chemical compound with molecular formula C23H37ClN2 and molecular weight 376.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-dodecyl-2-methylimidazol-1-ium chloride
Also Known As: 3-benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride, [VMIm]TfS, 1-Dodecyl-2-methyl-3-benzylimidazolium chloride, 1-benzyl-3-dodecyl-2-methylimidazol-1-ium;chloride, 1-DODECYL-2-METHYL-3-BENZYLIMIDAZOLIUMCHLORIDE
| Molecular Formula | C23H37ClN2 |
|---|---|
| Molecular Weight | 376.26 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 376.26453 |
| Heavy Atoms | 26 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 21054-72-8 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-] |
| InChIKey | PBODPHKDNYVCEJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) (CAS 21054-72-8), with molecular formula C23H37ClN2 and molecular weight 376.26 g/mol. IUPAC: 1-benzyl-3-dodecyl-2-methylimidazol-1-ium chloride.
Chemical Property Profile of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)
Property Insights of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)
The XLogP value of 3.06 indicates that 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.8 Ų, 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) has 0 hydrogen bond donor(s) and 1 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 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)?
The CAS number of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) is 21054-72-8.
What is the molecular formula of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)?
The molecular formula of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) is C23H37ClN2.
What is the molecular weight of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)?
The molecular weight of 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) is 376.26 g/mol.
Where can I buy 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)?
You can request a quote for 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.