Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) (CAS 29678-80-6) is a chemical compound with molecular formula C16H30N4O6S2 and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-disulfonic acid;bis(5-methyl-4-propan-2-yl-1H-imidazole)
Also Known As: 4-Isopropyl-5-methylimidazole 1,2-ethanedisulfonate, Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1), C7-H12-N2.1/2C2-H6-O6-S2, ethane-1,2-disulfonic acid; 5-methyl-4-propan-2-yl-1H-imidazole, Ethane-1,2-disulfonic acid--5-methyl-4-(propan-2-yl)-1H-imidazole (1/2)
| Molecular Formula | C16H30N4O6S2 |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 2.44504 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.16068 |
| Heavy Atoms | 28 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 29678-80-6 |
|---|---|
| SMILES | CC1=C(N=CN1)C(C)C.CC1=C(N=CN1)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | JGVIWFUBOBHWPR-UHFFFAOYSA-N |
Product Overview
Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) (CAS 29678-80-6), with molecular formula C16H30N4O6S2 and molecular weight 438.16 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(5-methyl-4-propan-2-yl-1H-imidazole).
Chemical Property Profile of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 2.44504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1). The TPSA of 183.0 Ų indicates high polarity, suggesting Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) has 4 hydrogen bond donor(s) and 8 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 Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) is 29678-80-6.
What is the molecular formula of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) is C16H30N4O6S2.
What is the molecular weight of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) is 438.16 g/mol.
Where can I buy Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 4-isopropyl-5-methyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.