RefChem:218857
TL;DR: RefChem:218857 (CAS 72239-52-2) is a chemical compound with molecular formula C20H26N6O3 and molecular weight 398.21 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-dimethylphenyl)-1,3-dioxan-5-yl]methanol
Also Known As: 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethylphenyl)-, [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethylphenyl)-1,3-dioxan-5-yl]methanol, [5-{[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-(3,4-dimethylphenyl)-1,3-dioxan-5-yl]methanol, 1,3-DIOXANE-5-METHANOL, 5-((4,6-BIS(1-AZIRIDINYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2-(3, RefChem:218857
| Molecular Formula | C20H26N6O3 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.20663 |
| Heavy Atoms | 29 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 72239-52-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2OCC(CO2)(CO)NC3=NC(=NC(=N3)N4CC4)N5CC5)C |
| InChIKey | FDICQUYCQNIVKV-UHFFFAOYSA-N |
Product Overview
RefChem:218857 (CAS 72239-52-2), with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol. IUPAC: [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethylphenyl)-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of RefChem:218857
Property Insights of RefChem:218857
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218857. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:218857. Following Lipinski's Rule of Five, RefChem:218857 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 RefChem:218857?
The CAS number of RefChem:218857 is 72239-52-2.
What is the molecular formula of RefChem:218857?
The molecular formula of RefChem:218857 is C20H26N6O3.
What is the molecular weight of RefChem:218857?
The molecular weight of RefChem:218857 is 398.21 g/mol.
Where can I buy RefChem:218857?
You can request a quote for RefChem:218857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.