Pentaerythritol tris(3-(1-aziridinyl)propionate)
TL;DR: Pentaerythritol tris(3-(1-aziridinyl)propionate) (CAS 57116-45-7) is a chemical compound with molecular formula C20H33N3O7 and molecular weight 427.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate
Also Known As: Pentaerythritol tris(3-(1-aziridinyl)propionate), Xama 7, TAZO, TAZO, Xama 7, Pentaerythritol tris[3-(1-aziridinyl)propionate]
| Molecular Formula | C20H33N3O7 |
|---|---|
| Molecular Weight | 427.23 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 427.23184 |
| Heavy Atoms | 30 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 57116-45-7 |
|---|---|
| SMILES | C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3 |
| InChIKey | KAPCRJOPWXUMSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol tris(3-(1-aziridinyl)propionate) (CAS 57116-45-7), with molecular formula C20H33N3O7 and molecular weight 427.23 g/mol. IUPAC: [2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of Pentaerythritol tris(3-(1-aziridinyl)propionate)
Property Insights of Pentaerythritol tris(3-(1-aziridinyl)propionate)
The XLogP value of -1.4 indicates that Pentaerythritol tris(3-(1-aziridinyl)propionate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tris(3-(1-aziridinyl)propionate). Following Lipinski's Rule of Five, Pentaerythritol tris(3-(1-aziridinyl)propionate) has 1 hydrogen bond donor(s) and 10 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 Pentaerythritol tris(3-(1-aziridinyl)propionate)?
The CAS number of Pentaerythritol tris(3-(1-aziridinyl)propionate) is 57116-45-7.
What is the molecular formula of Pentaerythritol tris(3-(1-aziridinyl)propionate)?
The molecular formula of Pentaerythritol tris(3-(1-aziridinyl)propionate) is C20H33N3O7.
What is the molecular weight of Pentaerythritol tris(3-(1-aziridinyl)propionate)?
The molecular weight of Pentaerythritol tris(3-(1-aziridinyl)propionate) is 427.23 g/mol.
Where can I buy Pentaerythritol tris(3-(1-aziridinyl)propionate)?
You can request a quote for Pentaerythritol tris(3-(1-aziridinyl)propionate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tris(3-(1-aziridinyl)propionate)?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tris(3-(1-aziridinyl)propionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.