AB00117888-01
TL;DR: AB00117888-01 (CAS 432016-75-6) is a chemical compound with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
Also Known As: AB00117888-01, (4Z)-4-(5-chloro-2-hydroxy-3-nitrobenzylidene)-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione, (4Z)-4-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione, (4Z)-4-(5-chloro-2-hydroxy-3-nitrobenzylidene)-2-(3,4-dimethylphenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one, 4-[(5-chloro-2-hydroxy-3-nitro-phenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
| Molecular Formula | C18H14ClN3O5 |
|---|---|
| Molecular Weight | 387.06 g/mol |
| LogP | 3.03204 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.0622 |
| Heavy Atoms | 27 |
| Complexity | 1031.8975 |
Chemical Identifiers
| CAS Number | 432016-75-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])O)/C(=O)N2)C |
Product Overview
AB00117888-01 (CAS 432016-75-6), with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol. IUPAC: (4Z)-4-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione.
Chemical Property Profile of AB00117888-01
Property Insights of AB00117888-01
The XLogP value of 3.03204 indicates that AB00117888-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117888-01. Following Lipinski's Rule of Five, AB00117888-01 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 AB00117888-01?
The CAS number of AB00117888-01 is 432016-75-6.
What is the molecular formula of AB00117888-01?
The molecular formula of AB00117888-01 is C18H14ClN3O5.
What is the molecular weight of AB00117888-01?
The molecular weight of AB00117888-01 is 387.06 g/mol.
Where can I buy AB00117888-01?
You can request a quote for AB00117888-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117888-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117888-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.