RefChem:1050548
TL;DR: RefChem:1050548 (CAS 72239-51-1) is a chemical compound with molecular formula C18H22N6O3 and molecular weight 370.17532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-dioxan-5-yl]methanol
Also Known As: m-DIOXANE-5-METHANOL, 2-PHENYL-5-(4,6-DIAZIRIDINYL-2-s-TRIAZINYLAMINO)-, 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-phenyl-, 5-(4,6-Diaziridinyl-2-s-triaziridinylamino)-2-phenyl-m-dioxane-5-methanol, s-Triazine, 4,6-diaziridinyl-2-(2-phenyl-5-hydroxymethyl-m-dioxan-5-ylamino)-, (5-{[4,6-Bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino}-2-pheny
Technical Specifications
| Molecular Formula | C18H22N6O3 |
| Molecular Weight | 370.17532 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.17532 Da |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
| SMILES | C1CN1C2=NC(=NC(=N2)NC3(COC(OC3)C4=CC=CC=C4)CO)N5CC5 |
| InChIKey | VPZWBHONOYDQMO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1050548
Property Insights of RefChem:1050548
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1050548. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1050548. Following Lipinski's Rule of Five, RefChem:1050548 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1050548?
The CAS number of RefChem:1050548 is 72239-51-1.
What is the molecular formula of RefChem:1050548?
The molecular formula of RefChem:1050548 is C18H22N6O3.
What is the molecular weight of RefChem:1050548?
The molecular weight of RefChem:1050548 is 370.17532 g/mol.
Where can I buy RefChem:1050548?
You can request a quote for RefChem:1050548 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1050548?
Yes, CoreyChem provides custom synthesis services for RefChem:1050548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.