AB00095012-01
TL;DR: AB00095012-01 (CAS 296243-45-3) is a chemical compound with molecular formula C20H17BrN2O6 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: AB00095012-01, A1924/0080930, (5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione, (5Z)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-ethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C20H17BrN2O6 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | 3.2284 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.027 |
| Heavy Atoms | 29 |
| Complexity | 1016.37665 |
Chemical Identifiers
| CAS Number | 296243-45-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)O)OC)/C(=O)NC2=O |
Product Overview
AB00095012-01 (CAS 296243-45-3), with molecular formula C20H17BrN2O6 and molecular weight 460.03 g/mol. IUPAC: (5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00095012-01
Property Insights of AB00095012-01
The XLogP value of 3.2284 indicates that AB00095012-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00095012-01. Following Lipinski's Rule of Five, AB00095012-01 has 2 hydrogen bond donor(s) and 6 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 AB00095012-01?
The CAS number of AB00095012-01 is 296243-45-3.
What is the molecular formula of AB00095012-01?
The molecular formula of AB00095012-01 is C20H17BrN2O6.
What is the molecular weight of AB00095012-01?
The molecular weight of AB00095012-01 is 460.03 g/mol.
Where can I buy AB00095012-01?
You can request a quote for AB00095012-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095012-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095012-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.