(1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol
TL;DR: (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol (CAS 17902-32-8) is a chemical compound with molecular formula C16H19ClN2OS and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methanol
Also Known As: KST-1B1081, 2,4-difluoro-3-methoxylbenzoic acid, (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol, {5-[(3-chlorophenyl)sulfanyl]-4-(1-methylethyl)-1-prop-2-en-1-yl-1h-imidazol-2-yl}methanol, [5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methanol
| Molecular Formula | C16H19ClN2OS |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09067 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 17902-32-8 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CO)CC=C)SC2=CC(=CC=C2)Cl |
| InChIKey | DOBJOCSYGHQILN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol (CAS 17902-32-8), with molecular formula C16H19ClN2OS and molecular weight 322.09 g/mol. IUPAC: [5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methanol.
Chemical Property Profile of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol
Property Insights of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol
The XLogP value of 4.1 indicates that (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol. Following Lipinski's Rule of Five, (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol has 1 hydrogen bond donor(s) and 3 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 (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol?
The CAS number of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol is 17902-32-8.
What is the molecular formula of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol?
The molecular formula of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol is C16H19ClN2OS.
What is the molecular weight of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol?
The molecular weight of (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol is 322.09 g/mol.
Where can I buy (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol?
You can request a quote for (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-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 (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (1-Allyl-5-(3-chlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.