AB00118705-01
TL;DR: AB00118705-01 (CAS 431941-95-6) is a chemical compound with molecular formula C18H14BrClN2O4 and molecular weight 435.98 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-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
Also Known As: AB00118705-01, (5E)-3-(4-bromobenzyl)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)imidazolidine-2,4-dione, (5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
| Molecular Formula | C18H14BrClN2O4 |
|---|---|
| Molecular Weight | 435.98 g/mol |
| LogP | 3.9096 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.98254 |
| Heavy Atoms | 26 |
| Complexity | 912.1523 |
Chemical Identifiers
| CAS Number | 431941-95-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br)Cl)O |
Product Overview
AB00118705-01 (CAS 431941-95-6), with molecular formula C18H14BrClN2O4 and molecular weight 435.98 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00118705-01
Property Insights of AB00118705-01
The XLogP value of 3.9096 indicates that AB00118705-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118705-01. Following Lipinski's Rule of Five, AB00118705-01 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 AB00118705-01?
The CAS number of AB00118705-01 is 431941-95-6.
What is the molecular formula of AB00118705-01?
The molecular formula of AB00118705-01 is C18H14BrClN2O4.
What is the molecular weight of AB00118705-01?
The molecular weight of AB00118705-01 is 435.98 g/mol.
Where can I buy AB00118705-01?
You can request a quote for AB00118705-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118705-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118705-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.