AB00659361-05
TL;DR: AB00659361-05 (CAS 313953-72-9) is a chemical compound with molecular formula C15H16BrN3O6 and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: AB00659361-05, (5Z)-1-(4-bromophenyl)-5-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (Z)-1-(4-bromophenyl)-5-(((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-bromophenyl)-5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-bromophenyl)-5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H16BrN3O6 |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | -0.8715 |
| Topological Polar Surface Area | 148.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.02225 |
| Heavy Atoms | 25 |
| Complexity | 875.3555 |
Chemical Identifiers
| CAS Number | 313953-72-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C(=O)NC2=O)C=NC(CO)(CO)CO)O)Br |
Product Overview
AB00659361-05 (CAS 313953-72-9), with molecular formula C15H16BrN3O6 and molecular weight 413.02 g/mol. IUPAC: 1-(4-bromophenyl)-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of AB00659361-05
Property Insights of AB00659361-05
The XLogP value of -0.8715 indicates that AB00659361-05 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.14 Ų indicates high polarity, suggesting AB00659361-05 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00659361-05 has 5 hydrogen bond donor(s) and 7 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 AB00659361-05?
The CAS number of AB00659361-05 is 313953-72-9.
What is the molecular formula of AB00659361-05?
The molecular formula of AB00659361-05 is C15H16BrN3O6.
What is the molecular weight of AB00659361-05?
The molecular weight of AB00659361-05 is 413.02 g/mol.
Where can I buy AB00659361-05?
You can request a quote for AB00659361-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00659361-05?
Yes, KEHONG BIO provides custom synthesis services for AB00659361-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.