AB00118730-01
TL;DR: AB00118730-01 (CAS 431977-25-2) is a chemical compound with molecular formula C18H14BrN3O5 and molecular weight 431.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-bromophenyl)methyl]-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
Also Known As: AB00118730-01, (5E)-3-[(4-bromophenyl)methyl]-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione, (5E)-3-(4-bromobenzyl)-5-(2-methoxy-5-nitrobenzylidene)imidazolidine-2,4-dione
| Molecular Formula | C18H14BrN3O5 |
|---|---|
| Molecular Weight | 431.01 g/mol |
| LogP | 3.4588 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.0117 |
| Heavy Atoms | 27 |
| Complexity | 955.9695 |
Chemical Identifiers
| CAS Number | 431977-25-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br |
Product Overview
AB00118730-01 (CAS 431977-25-2), with molecular formula C18H14BrN3O5 and molecular weight 431.01 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00118730-01
Property Insights of AB00118730-01
The XLogP value of 3.4588 indicates that AB00118730-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118730-01. Following Lipinski's Rule of Five, AB00118730-01 has 1 hydrogen bond donor(s) and 5 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 AB00118730-01?
The CAS number of AB00118730-01 is 431977-25-2.
What is the molecular formula of AB00118730-01?
The molecular formula of AB00118730-01 is C18H14BrN3O5.
What is the molecular weight of AB00118730-01?
The molecular weight of AB00118730-01 is 431.01 g/mol.
Where can I buy AB00118730-01?
You can request a quote for AB00118730-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118730-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118730-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.