3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl
TL;DR: 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl (CAS 55738-54-0) is a chemical compound with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine
Also Known As: 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl, trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2-furyl)vinyl]-1,3,4-oxadiazole, N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine, N,N-Dimethyl-N'-{5-[(E)-2-(5-nitrofuran-2-yl)ethen-1-yl]-1,3,4-oxadiazol-2-yl}methanediamine, N,N-dimethyl-N'-{5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl}methanediamine
| Molecular Formula | C11H13N5O4 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.6722 |
| Topological Polar Surface Area | 110.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.09674 |
| Heavy Atoms | 20 |
| Complexity | 615.867 |
Chemical Identifiers
| CAS Number | 55738-54-0 |
|---|---|
| SMILES | CN(C)CNC1=NN=C(O1)/C=C/C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl (CAS 55738-54-0), with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol. IUPAC: N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine.
Chemical Property Profile of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl
Property Insights of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl
The XLogP value of 1.6722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl. The TPSA of 110.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl. Following Lipinski's Rule of Five, 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl has 1 hydrogen bond donor(s) and 8 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 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl?
The CAS number of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl is 55738-54-0.
What is the molecular formula of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl?
The molecular formula of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl is C11H13N5O4.
What is the molecular weight of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl?
The molecular weight of 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl is 279.10 g/mol.
Where can I buy 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl?
You can request a quote for 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.