AB00948512-05
TL;DR: AB00948512-05 (CAS 852900-91-5) is a chemical compound with molecular formula C24H17F3N4O3 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
Also Known As: AB00948512-05, AB00948512-07, 3-benzyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide, 3-benzyl-4-oxo-N-[(2,3,4-trifluorophenyl)carbamoylmethyl]phthalazine-1-carboxamide, 3-Benzyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3,4-dihydrophthalazine-1-carboxamide
| Molecular Formula | C24H17F3N4O3 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 3.2306 |
| Topological Polar Surface Area | 93.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12527 |
| Heavy Atoms | 34 |
| Complexity | 1455.5648 |
Chemical Identifiers
| CAS Number | 852900-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=C(C(=C(C=C4)F)F)F |
Product Overview
AB00948512-05 (CAS 852900-91-5), with molecular formula C24H17F3N4O3 and molecular weight 466.13 g/mol. IUPAC: 3-benzyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide.
Chemical Property Profile of AB00948512-05
Property Insights of AB00948512-05
The XLogP value of 3.2306 indicates that AB00948512-05 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00948512-05. Following Lipinski's Rule of Five, AB00948512-05 has 2 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 AB00948512-05?
The CAS number of AB00948512-05 is 852900-91-5.
What is the molecular formula of AB00948512-05?
The molecular formula of AB00948512-05 is C24H17F3N4O3.
What is the molecular weight of AB00948512-05?
The molecular weight of AB00948512-05 is 466.13 g/mol.
Where can I buy AB00948512-05?
You can request a quote for AB00948512-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00948512-05?
Yes, KEHONG BIO provides custom synthesis services for AB00948512-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.