J3.110.993K
TL;DR: J3.110.993K (CAS 64153-70-4) is a chemical compound with molecular formula C18H20N6O9 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: J3.110.993K, 5,5-bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5,5-bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dim, 5,5-Bis(1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-yl)-1,3-dimethylbarbituric acid, 1~1~,1~3~,2~1~,2~3~,3~1~,3~3~-Hexamethyl[1~5~,2~5~:2~5~,3~5~-ter-1,3-diazinane]-1~2~,1~4~,1~6~,2~2~,2~4~,2~6~,3~2~,3~4~,3~6~-nonone
| Molecular Formula | C18H20N6O9 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.12918 |
| Heavy Atoms | 33 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 64153-70-4 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C2(C(=O)N(C(=O)N(C2=O)C)C)C3C(=O)N(C(=O)N(C3=O)C)C |
| InChIKey | LEZSPNGVAZDDDL-UHFFFAOYSA-N |
Product Overview
J3.110.993K (CAS 64153-70-4), with molecular formula C18H20N6O9 and molecular weight 464.13 g/mol. IUPAC: 5,5-bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of J3.110.993K
Property Insights of J3.110.993K
The XLogP value of -2.9 indicates that J3.110.993K is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting J3.110.993K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J3.110.993K has 0 hydrogen bond donor(s) and 9 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 J3.110.993K?
The CAS number of J3.110.993K is 64153-70-4.
What is the molecular formula of J3.110.993K?
The molecular formula of J3.110.993K is C18H20N6O9.
What is the molecular weight of J3.110.993K?
The molecular weight of J3.110.993K is 464.13 g/mol.
Where can I buy J3.110.993K?
You can request a quote for J3.110.993K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.110.993K?
Yes, KEHONG BIO provides custom synthesis services for J3.110.993K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.