AB00717823-01
TL;DR: AB00717823-01 (CAS 5390-56-7) is a chemical compound with molecular formula C21H14ClF3N2O5 and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
Also Known As: AB00717823-01, [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate, [4-chloro-3-(trifluoromethyl)phenyl]carbamoylmethyl 2-(furan-2-carbonylamino)benzoate, 2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl 2-(furan-2-carboxamido)benzoate
| Molecular Formula | C21H14ClF3N2O5 |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 4.9996 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.05432 |
| Heavy Atoms | 32 |
| Complexity | 1146.5869 |
Chemical Identifiers
| CAS Number | 5390-56-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)NC(=O)C3=CC=CO3 |
Product Overview
AB00717823-01 (CAS 5390-56-7), with molecular formula C21H14ClF3N2O5 and molecular weight 466.05 g/mol. IUPAC: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
Chemical Property Profile of AB00717823-01
Property Insights of AB00717823-01
The XLogP value of 4.9996 indicates that AB00717823-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00717823-01. Following Lipinski's Rule of Five, AB00717823-01 has 2 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 AB00717823-01?
The CAS number of AB00717823-01 is 5390-56-7.
What is the molecular formula of AB00717823-01?
The molecular formula of AB00717823-01 is C21H14ClF3N2O5.
What is the molecular weight of AB00717823-01?
The molecular weight of AB00717823-01 is 466.05 g/mol.
Where can I buy AB00717823-01?
You can request a quote for AB00717823-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00717823-01?
Yes, KEHONG BIO provides custom synthesis services for AB00717823-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.