AB00105696-01
TL;DR: AB00105696-01 (CAS 378765-15-2) is a chemical compound with molecular formula C15H8BrN3O6 and molecular weight 404.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AB00105696-01, (E)-1-(4-bromophenyl)-5-((5-nitrofuran-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, 1-(4-bromophenyl)-5-[(5-nitro-2-furyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-1-(4-bromophenyl)-2-hydroxy-5-[(5-nitrofuran-2-yl)methylidene]pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H8BrN3O6 |
|---|---|
| Molecular Weight | 404.96 g/mol |
| LogP | 2.6167 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.95966 |
| Heavy Atoms | 25 |
| Complexity | 930.9983 |
Chemical Identifiers
| CAS Number | 378765-15-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=O)Br |
Product Overview
AB00105696-01 (CAS 378765-15-2), with molecular formula C15H8BrN3O6 and molecular weight 404.96 g/mol. IUPAC: (5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00105696-01
Property Insights of AB00105696-01
The XLogP value of 2.6167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105696-01. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105696-01. Following Lipinski's Rule of Five, AB00105696-01 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 AB00105696-01?
The CAS number of AB00105696-01 is 378765-15-2.
What is the molecular formula of AB00105696-01?
The molecular formula of AB00105696-01 is C15H8BrN3O6.
What is the molecular weight of AB00105696-01?
The molecular weight of AB00105696-01 is 404.96 g/mol.
Where can I buy AB00105696-01?
You can request a quote for AB00105696-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105696-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105696-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.