2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
TL;DR: 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide (CAS 52855-16-0) is a chemical compound with molecular formula C14H20N3O4P and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-3-benzyl-5-ethyl-5-nitro-1,3,2λ5-oxazaphosphinane 2-oxide
Also Known As: 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide, 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(1-aziridinyl)-3-benzyl-5-ethyl-5-nitro-, 2-oxide, 2-(aziridin-1-yl)-3-benzyl-5-ethyl-5-nitro-1,3,2, 2-(Aziridin-1-yl)-3-benzyl-5-ethyl-5-nitro-1,3,2lambda~5~-oxazaphosphinan-2-one
| Molecular Formula | C14H20N3O4P |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 2.368 |
| Topological Polar Surface Area | 75.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.11914 |
| Heavy Atoms | 22 |
| Complexity | 607.36536 |
Chemical Identifiers
| CAS Number | 52855-16-0 |
|---|---|
| SMILES | CCC1(CN(P(=O)(OC1)N2CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide (CAS 52855-16-0), with molecular formula C14H20N3O4P and molecular weight 325.12 g/mol. IUPAC: 2-(aziridin-1-yl)-3-benzyl-5-ethyl-5-nitro-1,3,2λ5-oxazaphosphinane 2-oxide.
Chemical Property Profile of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
Property Insights of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
The XLogP value of 2.368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide. The TPSA of 75.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide. Following Lipinski's Rule of Five, 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide 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 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide?
The CAS number of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide is 52855-16-0.
What is the molecular formula of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide?
The molecular formula of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide is C14H20N3O4P.
What is the molecular weight of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide?
The molecular weight of 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide is 325.12 g/mol.
Where can I buy 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide?
You can request a quote for 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Aziridinyl)-3-benzyl-5-ethyl-5-nitrotetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.