Triethylenephosphoramide
TL;DR: Triethylenephosphoramide (CAS 545-55-1) is a chemical compound with molecular formula C6H12N3OP and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(aziridin-1-yl)phosphoryl]aziridine
Also Known As: Triethylenephosphoramide, TEPA, Aphoxide, Imperon fixer T, TAPO
| Molecular Formula | C6H12N3OP |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 26.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0718 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
| Melting Point | 41.1 °C |
| Boiling Point | 90-91 °C @ 23 MM HG |
| Density | greater than 1 at 20.0 °C (est) |
| Solubility | EXTREMELY SOL IN WATER; VERY SOL IN ALCOHOL, ETHER, ACETONE |
| Vapor Pressure | 0.0063 [mmHg] |
Chemical Identifiers
| CAS Number | 545-55-1 |
|---|---|
| SMILES | C1CN1P(=O)(N2CC2)N3CC3 |
| InChIKey | FYAMXEPQQLNQDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylenephosphoramide (CAS 545-55-1), with molecular formula C6H12N3OP and molecular weight 173.07 g/mol. IUPAC: 1-[bis(aziridin-1-yl)phosphoryl]aziridine.
Chemical Property Profile of Triethylenephosphoramide
Property Insights of Triethylenephosphoramide
The XLogP value of -0.6 indicates that Triethylenephosphoramide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.1 Ų, Triethylenephosphoramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylenephosphoramide has 0 hydrogen bond donor(s) and 4 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 Triethylenephosphoramide?
The CAS number of Triethylenephosphoramide is 545-55-1.
What is the molecular formula of Triethylenephosphoramide?
The molecular formula of Triethylenephosphoramide is C6H12N3OP.
What is the molecular weight of Triethylenephosphoramide?
The molecular weight of Triethylenephosphoramide is 173.07 g/mol.
Where can I buy Triethylenephosphoramide?
You can request a quote for Triethylenephosphoramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylenephosphoramide?
Yes, KEHONG BIO provides custom synthesis services for Triethylenephosphoramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.