AB00684685-01
TL;DR: AB00684685-01 (CAS 851801-27-9) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-nitrophenyl)-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684685-01, F0630-0604, (4-methyl-3-nitrophenyl)(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, 1-(4-methyl-3-nitrobenzoyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole, (4-methyl-3-nitrophenyl)-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 3.95684 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 895.34814 |
Chemical Identifiers
| CAS Number | 851801-27-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC=CC=C3C)[N+](=O)[O-] |
Product Overview
AB00684685-01 (CAS 851801-27-9), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: (4-methyl-3-nitrophenyl)-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684685-01
Property Insights of AB00684685-01
The XLogP value of 3.95684 indicates that AB00684685-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684685-01. Following Lipinski's Rule of Five, AB00684685-01 has 0 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 AB00684685-01?
The CAS number of AB00684685-01 is 851801-27-9.
What is the molecular formula of AB00684685-01?
The molecular formula of AB00684685-01 is C19H19N3O3S.
What is the molecular weight of AB00684685-01?
The molecular weight of AB00684685-01 is 369.11 g/mol.
Where can I buy AB00684685-01?
You can request a quote for AB00684685-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684685-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684685-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.