AB00684706-01
TL;DR: AB00684706-01 (CAS 851806-57-0) is a chemical compound with molecular formula C16H13F3N2O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-yl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684706-01, F0630-1466, 1-(furan-2-carbonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole, furan-2-yl(2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, furan-2-yl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
| Molecular Formula | C16H13F3N2O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.0436 |
| Topological Polar Surface Area | 45.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.06497 |
| Heavy Atoms | 24 |
| Complexity | 739.68304 |
Chemical Identifiers
| CAS Number | 851806-57-0 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CO3 |
Product Overview
AB00684706-01 (CAS 851806-57-0), with molecular formula C16H13F3N2O2S and molecular weight 354.06 g/mol. IUPAC: furan-2-yl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684706-01
Property Insights of AB00684706-01
The XLogP value of 4.0436 indicates that AB00684706-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.81 Ų, AB00684706-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684706-01 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 AB00684706-01?
The CAS number of AB00684706-01 is 851806-57-0.
What is the molecular formula of AB00684706-01?
The molecular formula of AB00684706-01 is C16H13F3N2O2S.
What is the molecular weight of AB00684706-01?
The molecular weight of AB00684706-01 is 354.06 g/mol.
Where can I buy AB00684706-01?
You can request a quote for AB00684706-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684706-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684706-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.