AB00114756-01
TL;DR: AB00114756-01 (CAS 431072-80-9) is a chemical compound with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AB00114756-01, 4-(4-chlorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(4-CHLOROBENZOYL)-5-(3-FLUOROPHENYL)-3-HYDROXY-1-(3-PYRIDYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C23H16ClFN2O3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.496 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08334 |
| Heavy Atoms | 30 |
| Complexity | 1146.6245 |
Chemical Identifiers
| CAS Number | 431072-80-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
AB00114756-01 (CAS 431072-80-9), with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00114756-01
Property Insights of AB00114756-01
The XLogP value of 4.496 indicates that AB00114756-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114756-01. Following Lipinski's Rule of Five, AB00114756-01 has 1 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 AB00114756-01?
The CAS number of AB00114756-01 is 431072-80-9.
What is the molecular formula of AB00114756-01?
The molecular formula of AB00114756-01 is C23H16ClFN2O3.
What is the molecular weight of AB00114756-01?
The molecular weight of AB00114756-01 is 422.08 g/mol.
Where can I buy AB00114756-01?
You can request a quote for AB00114756-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114756-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114756-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.