Dioxadet
TL;DR: Dioxadet (CAS 67026-12-4) is a chemical compound with molecular formula C14H22N6O3 and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol
Also Known As: Dioxadet, NCI60_002242, 2,2-Dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol, s-Triazine, 4,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-, N(c1nc(nc(n1)N2CC2)N3CC3)C4(CO)COC(C)(C)OC4
| Molecular Formula | C14H22N6O3 |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.17532 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 67026-12-4 |
|---|---|
| SMILES | CC1(OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4)C |
| InChIKey | QKBGEGKCGLXDSG-UHFFFAOYSA-N |
Product Overview
Dioxadet (CAS 67026-12-4), with molecular formula C14H22N6O3 and molecular weight 322.18 g/mol. IUPAC: [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of Dioxadet
Property Insights of Dioxadet
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioxadet. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioxadet. Following Lipinski's Rule of Five, Dioxadet 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
Frequently Asked Questions
What is the CAS number of Dioxadet?
The CAS number of Dioxadet is 67026-12-4.
What is the molecular formula of Dioxadet?
The molecular formula of Dioxadet is C14H22N6O3.
What is the molecular weight of Dioxadet?
The molecular weight of Dioxadet is 322.18 g/mol.
Where can I buy Dioxadet?
You can request a quote for Dioxadet directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxadet?
Yes, KEHONG BIO provides custom synthesis services for Dioxadet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.