AB00117159-01
TL;DR: AB00117159-01 (CAS 431997-74-9) is a chemical compound with molecular formula C21H21BrN2O4 and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
Also Known As: AB00117159-01, (5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione, (5E)-3-(4-bromobenzyl)-5-(3,4-diethoxybenzylidene)imidazolidine-2,4-dione, 3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione
| Molecular Formula | C21H21BrN2O4 |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 4.3394 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.06848 |
| Heavy Atoms | 28 |
| Complexity | 909.12164 |
Chemical Identifiers
| CAS Number | 431997-74-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br)OCC |
Product Overview
AB00117159-01 (CAS 431997-74-9), with molecular formula C21H21BrN2O4 and molecular weight 444.07 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxyphenyl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00117159-01
Property Insights of AB00117159-01
The XLogP value of 4.3394 indicates that AB00117159-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117159-01. Following Lipinski's Rule of Five, AB00117159-01 has 1 hydrogen bond donor(s) and 4 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 AB00117159-01?
The CAS number of AB00117159-01 is 431997-74-9.
What is the molecular formula of AB00117159-01?
The molecular formula of AB00117159-01 is C21H21BrN2O4.
What is the molecular weight of AB00117159-01?
The molecular weight of AB00117159-01 is 444.07 g/mol.
Where can I buy AB00117159-01?
You can request a quote for AB00117159-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117159-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117159-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.