AB00116514-01
TL;DR: AB00116514-01 (CAS 431920-76-2) is a chemical compound with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
Also Known As: AB00116514-01, (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione, 5-(4-(4-bromobenzyloxy)-3-methoxybenzylidene)imidazolidine-2,4-dione, (5E)-5-{4-[(4-bromobenzyl)oxy]-3-methoxybenzylidene}imidazolidine-2,4-dione, (5E)-5-({4-[(4-BROMOPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)IMIDAZOLIDINE-2,4-DIONE
| Molecular Formula | C18H15BrN2O4 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 3.217 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0215 |
| Heavy Atoms | 25 |
| Complexity | 846.6546 |
Chemical Identifiers
| CAS Number | 431920-76-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N2)OCC3=CC=C(C=C3)Br |
Product Overview
AB00116514-01 (CAS 431920-76-2), with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol. IUPAC: (5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00116514-01
Property Insights of AB00116514-01
The XLogP value of 3.217 indicates that AB00116514-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116514-01. Following Lipinski's Rule of Five, AB00116514-01 has 2 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 AB00116514-01?
The CAS number of AB00116514-01 is 431920-76-2.
What is the molecular formula of AB00116514-01?
The molecular formula of AB00116514-01 is C18H15BrN2O4.
What is the molecular weight of AB00116514-01?
The molecular weight of AB00116514-01 is 402.02 g/mol.
Where can I buy AB00116514-01?
You can request a quote for AB00116514-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116514-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116514-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.