(4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol
TL;DR: (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol (CAS 1790-74-5) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methanol
Also Known As: KST-1B1088, 2,4-difluoro-3-methoxylbenzoic acid, (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol, {4-(1-methylethyl)-5-[(3-nitrophenyl)sulfanyl]-1-propyl-1h-imidazol-2-yl}methanol, (4-Isopropyl-5-((3-nitrophenyl)thio)-1-propyl-1H-imidazol-2-yl)methanol
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 1790-74-5 |
|---|---|
| SMILES | CCCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CO |
| InChIKey | BCMOBQYHCSOSAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol (CAS 1790-74-5), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: [5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methanol.
Chemical Property Profile of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol
Property Insights of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol
The XLogP value of 3.4 indicates that (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol. Following Lipinski's Rule of Five, (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-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-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol?
The CAS number of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol is 1790-74-5.
What is the molecular formula of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol?
The molecular formula of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol is C16H21N3O3S.
What is the molecular weight of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol?
The molecular weight of (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol is 335.13 g/mol.
Where can I buy (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol?
You can request a quote for (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-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-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4-Isopropyl-5-(3-nitrophenylthio)-1-n-propyl-1H-imidazol-2-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.