AB00110581-01
TL;DR: AB00110581-01 (CAS 84896-52-6) is a chemical compound with molecular formula C18H11ClF4N2O2 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Also Known As: AB00110581-01, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
| Molecular Formula | C18H11ClF4N2O2 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 5.71362 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.04453 |
| Heavy Atoms | 27 |
| Complexity | 994.5865 |
Chemical Identifiers
| CAS Number | 84896-52-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AB00110581-01 (CAS 84896-52-6), with molecular formula C18H11ClF4N2O2 and molecular weight 398.04 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of AB00110581-01
Property Insights of AB00110581-01
The XLogP value of 5.71362 indicates that AB00110581-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, AB00110581-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00110581-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00110581-01?
The CAS number of AB00110581-01 is 84896-52-6.
What is the molecular formula of AB00110581-01?
The molecular formula of AB00110581-01 is C18H11ClF4N2O2.
What is the molecular weight of AB00110581-01?
The molecular weight of AB00110581-01 is 398.04 g/mol.
Where can I buy AB00110581-01?
You can request a quote for AB00110581-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110581-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110581-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.