2-N-benzyl-5-methyl-2-oxo-1,3,2
TL;DR: 2-N-benzyl-5-methyl-2-oxo-1,3,2 (CAS 20133-72-6) is a chemical compound with molecular formula C16H27N3O9P2 and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2,5-diamine;5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: 2-N-benzyl-5-methyl-2-oxo-1,3,2, 2-N-benzyl-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinane-2,5-diami, 5-ethyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide- n2-benzyl-5-methyl-1,3,2-dioxaphosphinane-2,5-diamine 2-oxide(1:1), 2-N-benzyl-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinane-2,5-diamine;5-ethyl-2-hydroxy-5-nitro-1,3,2lambda5-dioxaphosphinane 2-oxide, 5-Amino-2-(benzylamino)-5-methyl-1,3,2lambda~5~-dioxaphosphinan-2-one--5-ethyl-2-hydroxy-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one (1/1)
| Molecular Formula | C16H27N3O9P2 |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 2.2076 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.12225 |
| Heavy Atoms | 30 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 20133-72-6 |
|---|---|
| SMILES | CCC1(COP(=O)(OC1)O)[N+](=O)[O-].CC1(COP(=O)(OC1)NCC2=CC=CC=C2)N |
| InChIKey | CCVUAXCQDXGBNF-UHFFFAOYSA-N |
Product Overview
2-N-benzyl-5-methyl-2-oxo-1,3,2 (CAS 20133-72-6), with molecular formula C16H27N3O9P2 and molecular weight 467.12 g/mol. IUPAC: 2-N-benzyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2,5-diamine;5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of 2-N-benzyl-5-methyl-2-oxo-1,3,2
Property Insights of 2-N-benzyl-5-methyl-2-oxo-1,3,2
The XLogP value of 2.2076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-N-benzyl-5-methyl-2-oxo-1,3,2. The TPSA of 175.0 Ų indicates high polarity, suggesting 2-N-benzyl-5-methyl-2-oxo-1,3,2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-N-benzyl-5-methyl-2-oxo-1,3,2 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-N-benzyl-5-methyl-2-oxo-1,3,2?
The CAS number of 2-N-benzyl-5-methyl-2-oxo-1,3,2 is 20133-72-6.
What is the molecular formula of 2-N-benzyl-5-methyl-2-oxo-1,3,2?
The molecular formula of 2-N-benzyl-5-methyl-2-oxo-1,3,2 is C16H27N3O9P2.
What is the molecular weight of 2-N-benzyl-5-methyl-2-oxo-1,3,2?
The molecular weight of 2-N-benzyl-5-methyl-2-oxo-1,3,2 is 467.12 g/mol.
Where can I buy 2-N-benzyl-5-methyl-2-oxo-1,3,2?
You can request a quote for 2-N-benzyl-5-methyl-2-oxo-1,3,2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-N-benzyl-5-methyl-2-oxo-1,3,2?
Yes, KEHONG BIO provides custom synthesis services for 2-N-benzyl-5-methyl-2-oxo-1,3,2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.