AB00684707-01
TL;DR: AB00684707-01 (CAS 851806-59-2) is a chemical compound with molecular formula C16H12BrF3N2O2S and molecular weight 431.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromofuran-2-yl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684707-01, F0630-1467, 1-(5-bromofuran-2-carbonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole, (5-bromofuran-2-yl)(2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, (5-bromofuran-2-yl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
| Molecular Formula | C16H12BrF3N2O2S |
|---|---|
| Molecular Weight | 431.98 g/mol |
| LogP | 4.8061 |
| Topological Polar Surface Area | 45.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.9755 |
| Heavy Atoms | 25 |
| Complexity | 802.4563 |
Chemical Identifiers
| CAS Number | 851806-59-2 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(O3)Br |
Product Overview
AB00684707-01 (CAS 851806-59-2), with molecular formula C16H12BrF3N2O2S and molecular weight 431.98 g/mol. IUPAC: (5-bromofuran-2-yl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684707-01
Property Insights of AB00684707-01
The XLogP value of 4.8061 indicates that AB00684707-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.81 Ų, AB00684707-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684707-01 has 0 hydrogen bond donor(s) and 4 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 AB00684707-01?
The CAS number of AB00684707-01 is 851806-59-2.
What is the molecular formula of AB00684707-01?
The molecular formula of AB00684707-01 is C16H12BrF3N2O2S.
What is the molecular weight of AB00684707-01?
The molecular weight of AB00684707-01 is 431.98 g/mol.
Where can I buy AB00684707-01?
You can request a quote for AB00684707-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684707-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684707-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.