AB00076368-01
TL;DR: AB00076368-01 (CAS 300586-37-2) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: AB00076368-01, (5E)-5-(3,4-dimethoxybenzylidene)-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione, (E)-5-(3,4-dimethoxybenzylidene)-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(3,4-dimethoxybenzylidene)-1-(4-ethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.7689 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 981.1659 |
Chemical Identifiers
| CAS Number | 300586-37-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C(=O)NC2=O |
Product Overview
AB00076368-01 (CAS 300586-37-2), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00076368-01
Property Insights of AB00076368-01
The XLogP value of 2.7689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00076368-01. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00076368-01. Following Lipinski's Rule of Five, AB00076368-01 has 1 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 AB00076368-01?
The CAS number of AB00076368-01 is 300586-37-2.
What is the molecular formula of AB00076368-01?
The molecular formula of AB00076368-01 is C21H20N2O6.
What is the molecular weight of AB00076368-01?
The molecular weight of AB00076368-01 is 396.13 g/mol.
Where can I buy AB00076368-01?
You can request a quote for AB00076368-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076368-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076368-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.