TimTec1_001496
TL;DR: TimTec1_001496 (CAS 5004-50-2) is a chemical compound with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-1,3-dioxoinden-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: TimTec1_001496, 5-(2,3-Dihydro-2-hydroxy-1,3-dioxo-1H-inden-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2-hydroxy-1,3-dioxoinden-2-yl)-1,3-diazinane-2,4,6-trione, 2-hydroxy-5-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C13H8N2O6 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | -1.2211 |
| Topological Polar Surface Area | 129.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.03824 |
| Heavy Atoms | 21 |
| Complexity | 682.93195 |
Chemical Identifiers
| CAS Number | 5004-50-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)(C3C(=O)NC(=O)NC3=O)O |
Product Overview
TimTec1_001496 (CAS 5004-50-2), with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol. IUPAC: 5-(2-hydroxy-1,3-dioxoinden-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of TimTec1_001496
Property Insights of TimTec1_001496
The XLogP value of -1.2211 indicates that TimTec1_001496 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.64 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001496. Following Lipinski's Rule of Five, TimTec1_001496 has 3 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 TimTec1_001496?
The CAS number of TimTec1_001496 is 5004-50-2.
What is the molecular formula of TimTec1_001496?
The molecular formula of TimTec1_001496 is C13H8N2O6.
What is the molecular weight of TimTec1_001496?
The molecular weight of TimTec1_001496 is 288.04 g/mol.
Where can I buy TimTec1_001496?
You can request a quote for TimTec1_001496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001496?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.