AB00684684-01
TL;DR: AB00684684-01 (CAS 851801-25-7) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-nitrophenyl)methanone
Also Known As: AB00684684-01, F0630-0602, (2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-nitrophenyl)methanone, [2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-nitrophenyl)methanone, 2-{[(2-methylphenyl)methyl]sulfanyl}-1-(4-nitrobenzoyl)-4,5-dihydro-1H-imidazole
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.64842 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 833.71484 |
Chemical Identifiers
| CAS Number | 851801-25-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NCCN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AB00684684-01 (CAS 851801-25-7), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: [2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of AB00684684-01
Property Insights of AB00684684-01
The XLogP value of 3.64842 indicates that AB00684684-01 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 AB00684684-01. Following Lipinski's Rule of Five, AB00684684-01 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 AB00684684-01?
The CAS number of AB00684684-01 is 851801-25-7.
What is the molecular formula of AB00684684-01?
The molecular formula of AB00684684-01 is C18H17N3O3S.
What is the molecular weight of AB00684684-01?
The molecular weight of AB00684684-01 is 355.10 g/mol.
Where can I buy AB00684684-01?
You can request a quote for AB00684684-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684684-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684684-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.