(4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol
TL;DR: (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol (CAS 17902-26-0) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Also Known As: KST-1B1080, (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol, {1-methyl-4-(1-methylethyl)-5-[(3-nitrophenyl)sulfanyl]-1h-imidazol-2-yl}methanol, [1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol, [4-isopropyl-1-methyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]methanol
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 17902-26-0 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CO)C)SC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | VTHJXLCUDZONMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol (CAS 17902-26-0), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: [1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol.
Chemical Property Profile of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol
Property Insights of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol. Following Lipinski's Rule of Five, (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol has 1 hydrogen bond donor(s) and 5 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 (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol?
The CAS number of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol is 17902-26-0.
What is the molecular formula of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol?
The molecular formula of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol is C14H17N3O3S.
What is the molecular weight of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol?
The molecular weight of (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol is 307.10 g/mol.
Where can I buy (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol?
You can request a quote for (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4-Isopropyl-1-methyl-5-(3-nitrophenylthio)-1H-imidazol-2-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.