AB00118363-01
TL;DR: AB00118363-01 (CAS 431909-62-5) is a chemical compound with molecular formula C21H13Cl2N3O5 and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Also Known As: AB00118363-01, (5E)-3-(4-chlorobenzyl)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}imidazolidine-2,4-dione, (5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione, (5E)-5-{[5-(4-CHLORO-3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-[(4-CHLOROPHENYL)METHYL]IMIDAZOLIDINE-2,4-DIONE
| Molecular Formula | C21H13Cl2N3O5 |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 5.2545 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.02322 |
| Heavy Atoms | 31 |
| Complexity | 1234.0671 |
Chemical Identifiers
| CAS Number | 431909-62-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/NC2=O)Cl |
Product Overview
AB00118363-01 (CAS 431909-62-5), with molecular formula C21H13Cl2N3O5 and molecular weight 457.02 g/mol. IUPAC: (5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione.
Chemical Property Profile of AB00118363-01
Property Insights of AB00118363-01
The XLogP value of 5.2545 indicates that AB00118363-01 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 AB00118363-01. Following Lipinski's Rule of Five, AB00118363-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00118363-01?
The CAS number of AB00118363-01 is 431909-62-5.
What is the molecular formula of AB00118363-01?
The molecular formula of AB00118363-01 is C21H13Cl2N3O5.
What is the molecular weight of AB00118363-01?
The molecular weight of AB00118363-01 is 457.02 g/mol.
Where can I buy AB00118363-01?
You can request a quote for AB00118363-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118363-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118363-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.