AB00668998-01
TL;DR: AB00668998-01 (CAS 851094-55-8) is a chemical compound with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
Also Known As: AB00668998-01, N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide, F0608-0039, N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C18H12F3N3O4 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 3.7789 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.078 |
| Heavy Atoms | 28 |
| Complexity | 1032.9104 |
Chemical Identifiers
| CAS Number | 851094-55-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
AB00668998-01 (CAS 851094-55-8), with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol. IUPAC: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of AB00668998-01
Property Insights of AB00668998-01
The XLogP value of 3.7789 indicates that AB00668998-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668998-01. Following Lipinski's Rule of Five, AB00668998-01 has 1 hydrogen bond donor(s) and 6 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 AB00668998-01?
The CAS number of AB00668998-01 is 851094-55-8.
What is the molecular formula of AB00668998-01?
The molecular formula of AB00668998-01 is C18H12F3N3O4.
What is the molecular weight of AB00668998-01?
The molecular weight of AB00668998-01 is 391.08 g/mol.
Where can I buy AB00668998-01?
You can request a quote for AB00668998-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668998-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668998-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.