AB00118433-01
TL;DR: AB00118433-01 (CAS 328076-36-4) is a chemical compound with molecular formula C20H11BrClN3O5 and molecular weight 486.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-1-(3-bromophenyl)-4-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]pyrazolidine-3,5-dione
Also Known As: AB00118433-01, (4Z)-1-(3-bromophenyl)-4-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]pyrazolidine-3,5-dione, (4Z)-1-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione, (Z)-1-(3-bromophenyl)-4-((5-(2-chloro-5-nitrophenyl)furan-2-yl)methylene)pyrazolidine-3,5-dione, 1-(3-bromophenyl)-4-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methylidene]pyrazolidine-3,5-dione
| Molecular Formula | C20H11BrClN3O5 |
|---|---|
| Molecular Weight | 486.96 g/mol |
| LogP | 4.7321 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.95706 |
| Heavy Atoms | 30 |
| Complexity | 1236.6848 |
Chemical Identifiers
| CAS Number | 328076-36-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/C(=O)N2 |
Product Overview
AB00118433-01 (CAS 328076-36-4), with molecular formula C20H11BrClN3O5 and molecular weight 486.96 g/mol. IUPAC: (4Z)-1-(3-bromophenyl)-4-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]pyrazolidine-3,5-dione.
Chemical Property Profile of AB00118433-01
Property Insights of AB00118433-01
The XLogP value of 4.7321 indicates that AB00118433-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118433-01. Following Lipinski's Rule of Five, AB00118433-01 has 1 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 AB00118433-01?
The CAS number of AB00118433-01 is 328076-36-4.
What is the molecular formula of AB00118433-01?
The molecular formula of AB00118433-01 is C20H11BrClN3O5.
What is the molecular weight of AB00118433-01?
The molecular weight of AB00118433-01 is 486.96 g/mol.
Where can I buy AB00118433-01?
You can request a quote for AB00118433-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118433-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118433-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.