![Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate structure](/static/products/846/84681-47-0.png)
Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate
TL;DR: Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate (CAS 84681-47-0) is a chemical compound with molecular formula C14H19N2O4P and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-[bis(aziridin-1-yl)phosphoryloxy]propanoate
Also Known As: Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate, benzyl 3-[bis(aziridin-1-yl)phosphoryloxy]propanoate
| Molecular Formula | C14H19N2O4P |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.10825 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 84681-47-0 |
|---|---|
| SMILES | C1CN1P(=O)(N2CC2)OCCC(=O)OCC3=CC=CC=C3 |
| InChIKey | WSXSFAZCSQPGFU-UHFFFAOYSA-N |
Product Overview
Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate (CAS 84681-47-0), with molecular formula C14H19N2O4P and molecular weight 310.11 g/mol. IUPAC: benzyl 3-[bis(aziridin-1-yl)phosphoryloxy]propanoate.
Chemical Property Profile of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate
Property Insights of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate. With a topological polar surface area (TPSA) of 58.6 Ų, Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate has 0 hydrogen bond donor(s) and 6 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 Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate?
The CAS number of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate is 84681-47-0.
What is the molecular formula of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate?
The molecular formula of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate is C14H19N2O4P.
What is the molecular weight of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate?
The molecular weight of Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate is 310.11 g/mol.
Where can I buy Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate?
You can request a quote for Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-{[bis(aziridin-1-yl)phosphoryl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.