AP-828/40969218
TL;DR: AP-828/40969218 (CAS 442552-86-5) is a chemical compound with molecular formula C20H17BrN4O3 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-bromophenyl)methyl]-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]imidazolidine-2,4-dione
Also Known As: AP-828/40969218, (5E)-3-[(4-bromophenyl)methyl]-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]imidazolidine-2,4-dione, 3-(4-bromobenzyl)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-2,4-imidazolidinedione, (5E)-3-(4-bromobenzyl)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]imidazolidine-2,4-dione, (5E)-3-[(4-BROMOPHENYL)METHYL]-5-[(1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)METHYLIDENE]IMIDAZOLIDINE-2,4-DIONE
| Molecular Formula | C20H17BrN4O3 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 2.7324 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0484 |
| Heavy Atoms | 28 |
| Complexity | 1204.6542 |
Chemical Identifiers
| CAS Number | 442552-86-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Br)N(C1=O)C |
Product Overview
AP-828/40969218 (CAS 442552-86-5), with molecular formula C20H17BrN4O3 and molecular weight 440.05 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AP-828/40969218
Property Insights of AP-828/40969218
The XLogP value of 2.7324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/40969218. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/40969218. Following Lipinski's Rule of Five, AP-828/40969218 has 1 hydrogen bond donor(s) and 3 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 AP-828/40969218?
The CAS number of AP-828/40969218 is 442552-86-5.
What is the molecular formula of AP-828/40969218?
The molecular formula of AP-828/40969218 is C20H17BrN4O3.
What is the molecular weight of AP-828/40969218?
The molecular weight of AP-828/40969218 is 440.05 g/mol.
Where can I buy AP-828/40969218?
You can request a quote for AP-828/40969218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40969218?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40969218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.