AB00684702-01
TL;DR: AB00684702-01 (CAS 851805-67-9) is a chemical compound with molecular formula C19H15F3N2O3S and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684702-01, F0630-1315, 1,3-benzodioxol-5-yl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, 1-(2H-1,3-benzodioxole-5-carbonyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole, benzo[d][1,3]dioxol-5-yl(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
| Molecular Formula | C19H15F3N2O3S |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 4.1793 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.07556 |
| Heavy Atoms | 28 |
| Complexity | 946.26135 |
Chemical Identifiers
| CAS Number | 851805-67-9 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00684702-01 (CAS 851805-67-9), with molecular formula C19H15F3N2O3S and molecular weight 408.08 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684702-01
Property Insights of AB00684702-01
The XLogP value of 4.1793 indicates that AB00684702-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, AB00684702-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684702-01 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 AB00684702-01?
The CAS number of AB00684702-01 is 851805-67-9.
What is the molecular formula of AB00684702-01?
The molecular formula of AB00684702-01 is C19H15F3N2O3S.
What is the molecular weight of AB00684702-01?
The molecular weight of AB00684702-01 is 408.08 g/mol.
Where can I buy AB00684702-01?
You can request a quote for AB00684702-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684702-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684702-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.