RefChem:221360
TL;DR: RefChem:221360 (CAS 72239-50-0) is a chemical compound with molecular formula C17H26N6O3 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-1,5-dioxaspiro[5.5]undecan-3-yl]methanol
Also Known As: 1,5-Dioxaspiro(5.5)undecane-3-methanol, 3-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-, 3-((4,6-Bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-1,5-dioxaspiro(5.5)undecane-3-methanol, [3-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-1,5-dioxaspiro[5.5]undecan-3-yl]methanol, (3-{[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-1,5-dioxaspiro[5.5]undecan-3-yl)methanol, [9-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-7,11-dioxaspiro[5.5]undecan-9-yl]methanol
| Molecular Formula | C17H26N6O3 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.20663 |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 72239-50-0 |
|---|---|
| SMILES | C1CCC2(CC1)OCC(CO2)(CO)NC3=NC(=NC(=N3)N4CC4)N5CC5 |
| InChIKey | XEMVQKINVHAHEP-UHFFFAOYSA-N |
Product Overview
RefChem:221360 (CAS 72239-50-0), with molecular formula C17H26N6O3 and molecular weight 362.21 g/mol. IUPAC: [3-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-1,5-dioxaspiro[5.5]undecan-3-yl]methanol.
Chemical Property Profile of RefChem:221360
Property Insights of RefChem:221360
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:221360. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:221360. Following Lipinski's Rule of Five, RefChem:221360 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:221360?
The CAS number of RefChem:221360 is 72239-50-0.
What is the molecular formula of RefChem:221360?
The molecular formula of RefChem:221360 is C17H26N6O3.
What is the molecular weight of RefChem:221360?
The molecular weight of RefChem:221360 is 362.21 g/mol.
Where can I buy RefChem:221360?
You can request a quote for RefChem:221360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221360?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.