5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole
TL;DR: 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole (CAS 17951-87-0) is a chemical compound with molecular formula C15H18F2N4OS and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-difluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
Also Known As: KST-1B1118, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole, 1-({5-[(3,5-difluorophenyl)sulfanyl]-1-methyl-4-(1-methylethyl)-1h-imidazol-2-yl}methyl)urea, 1-((5-((3,5-Difluorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methyl)urea, [5-(3,5-difluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
| Molecular Formula | C15H18F2N4OS |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.11694 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 17951-87-0 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CNC(=O)N)C)SC2=CC(=CC(=C2)F)F |
| InChIKey | BSXBSIAQKCJKOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole (CAS 17951-87-0), with molecular formula C15H18F2N4OS and molecular weight 340.12 g/mol. IUPAC: [5-(3,5-difluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea.
Chemical Property Profile of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole
Property Insights of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole. Following Lipinski's Rule of Five, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole has 2 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 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole?
The CAS number of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole is 17951-87-0.
What is the molecular formula of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole?
The molecular formula of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole is C15H18F2N4OS.
What is the molecular weight of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole?
The molecular weight of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole is 340.12 g/mol.
Where can I buy 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole?
You can request a quote for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-ureidomethyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.