RefChem:1050546
TL;DR: RefChem:1050546 (CAS 67026-16-8) is a chemical compound with molecular formula C20H26N6O5 and molecular weight 430.20 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-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl]methanol
Also Known As: 2-(3,4-Dimethoxyphenyl)-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol, m-Dioxane-5-methanol, 2-(3,4-dimethoxyphenyl)-5-(4,6-diaziridinyl-2-s-triazinylamino)-, [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl]methanol, m-Dioxane-5-axial-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(3,4-dimethoxyphenyl)-, m-Dioxane-5-equatorial-methanol, 5-axial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(3,4-dimethoxyphenyl)-
| Molecular Formula | C20H26N6O5 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.19647 |
| Heavy Atoms | 31 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 67026-16-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2OCC(CO2)(CO)NC3=NC(=NC(=N3)N4CC4)N5CC5)OC |
| InChIKey | POBJFOWZTSZNQJ-UHFFFAOYSA-N |
Product Overview
RefChem:1050546 (CAS 67026-16-8), with molecular formula C20H26N6O5 and molecular weight 430.20 g/mol. IUPAC: [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of RefChem:1050546
Property Insights of RefChem:1050546
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1050546. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1050546. Following Lipinski's Rule of Five, RefChem:1050546 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1050546?
The CAS number of RefChem:1050546 is 67026-16-8.
What is the molecular formula of RefChem:1050546?
The molecular formula of RefChem:1050546 is C20H26N6O5.
What is the molecular weight of RefChem:1050546?
The molecular weight of RefChem:1050546 is 430.20 g/mol.
Where can I buy RefChem:1050546?
You can request a quote for RefChem:1050546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1050546?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1050546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.