Benzodepa
TL;DR: Benzodepa (CAS 1980-45-6) is a chemical compound with molecular formula C12H16N3O3P and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
Also Known As: BENZODEPA, Benzcarbimine, Dualar, Benzodepum, Benzodepa [USAN:INN]
| Molecular Formula | C12H16N3O3P |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.09293 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 1980-45-6 |
|---|---|
| SMILES | C1CN1P(=O)(NC(=O)OCC2=CC=CC=C2)N3CC3 |
| InChIKey | VFIUCBTYGKMLCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzodepa (CAS 1980-45-6), with molecular formula C12H16N3O3P and molecular weight 281.09 g/mol. IUPAC: benzyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.
Chemical Property Profile of Benzodepa
Property Insights of Benzodepa
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzodepa. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzodepa. Following Lipinski's Rule of Five, Benzodepa has 1 hydrogen bond donor(s) and 5 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 Benzodepa?
The CAS number of Benzodepa is 1980-45-6.
What is the molecular formula of Benzodepa?
The molecular formula of Benzodepa is C12H16N3O3P.
What is the molecular weight of Benzodepa?
The molecular weight of Benzodepa is 281.09 g/mol.
Where can I buy Benzodepa?
You can request a quote for Benzodepa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzodepa?
Yes, KEHONG BIO provides custom synthesis services for Benzodepa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.