AB00684695-01
TL;DR: AB00684695-01 (CAS 851802-57-8) is a chemical compound with molecular formula C22H24N4O5S2 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
Also Known As: AB00684695-01, F0630-0820, (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(piperidin-1-ylsulfonyl)phenyl)methanone, 1-[4-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole-1-carbonyl)benzenesulfonyl]piperidine, [2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
| Molecular Formula | C22H24N4O5S2 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 3.5146 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1188 |
| Heavy Atoms | 33 |
| Complexity | 1158.2772 |
Chemical Identifiers
| CAS Number | 851802-57-8 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00684695-01 (CAS 851802-57-8), with molecular formula C22H24N4O5S2 and molecular weight 488.12 g/mol. IUPAC: [2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
Chemical Property Profile of AB00684695-01
Property Insights of AB00684695-01
The XLogP value of 3.5146 indicates that AB00684695-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684695-01. Following Lipinski's Rule of Five, AB00684695-01 has 0 hydrogen bond donor(s) and 7 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 AB00684695-01?
The CAS number of AB00684695-01 is 851802-57-8.
What is the molecular formula of AB00684695-01?
The molecular formula of AB00684695-01 is C22H24N4O5S2.
What is the molecular weight of AB00684695-01?
The molecular weight of AB00684695-01 is 488.12 g/mol.
Where can I buy AB00684695-01?
You can request a quote for AB00684695-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684695-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684695-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.