AB00118546-01
TL;DR: AB00118546-01 (CAS 431939-01-4) is a chemical compound with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-bromophenyl)methyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]imidazolidine-2,4-dione
Also Known As: AB00118546-01, AP-828/40969007, 3-(4-bromobenzyl)-5-(4-isobutoxybenzylidene)-2,4-imidazolidinedione, (5E)-3-[(4-bromophenyl)methyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]imidazolidine-2,4-dione, (5E)-3-(4-bromobenzyl)-5-[4-(2-methylpropoxy)benzylidene]imidazolidine-2,4-dione
| Molecular Formula | C21H21BrN2O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 4.5768 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.07355 |
| Heavy Atoms | 27 |
| Complexity | 858.00037 |
Chemical Identifiers
| CAS Number | 431939-01-4 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br |
Product Overview
AB00118546-01 (CAS 431939-01-4), with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00118546-01
Property Insights of AB00118546-01
The XLogP value of 4.5768 indicates that AB00118546-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00118546-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00118546-01 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 AB00118546-01?
The CAS number of AB00118546-01 is 431939-01-4.
What is the molecular formula of AB00118546-01?
The molecular formula of AB00118546-01 is C21H21BrN2O3.
What is the molecular weight of AB00118546-01?
The molecular weight of AB00118546-01 is 428.07 g/mol.
Where can I buy AB00118546-01?
You can request a quote for AB00118546-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118546-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118546-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.