RefChem:429595
TL;DR: RefChem:429595 (CAS 52234-82-9) is a chemical compound with molecular formula C21H35N3O6 and molecular weight 425.25 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]butyl 3-(aziridin-1-yl)propanoate
Also Known As: 2-(((3-(Aziridin-1-yl)propanoyl)oxy)methyl)-2-ethylpropane-1,3-diyl bis(3-(aziridin-1-yl)propanoate), (TAZ), Trimethylolpropane tris(3-aziridinylpropanoate), 2-((3-Aziridin-1-ylpropionyl)methyl)-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate), ACN-S005453
| Molecular Formula | C21H35N3O6 |
|---|---|
| Molecular Weight | 425.25 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 425.2526 |
| Heavy Atoms | 30 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 52234-82-9 |
|---|---|
| SMILES | CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3 |
| InChIKey | KDRBAEZRIDZKRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:429595 (CAS 52234-82-9), with molecular formula C21H35N3O6 and molecular weight 425.25 g/mol. IUPAC: 2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of RefChem:429595
Property Insights of RefChem:429595
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:429595. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:429595. Following Lipinski's Rule of Five, RefChem:429595 has 0 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:429595?
The CAS number of RefChem:429595 is 52234-82-9.
What is the molecular formula of RefChem:429595?
The molecular formula of RefChem:429595 is C21H35N3O6.
What is the molecular weight of RefChem:429595?
The molecular weight of RefChem:429595 is 425.25 g/mol.
Where can I buy RefChem:429595?
You can request a quote for RefChem:429595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.