2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime
TL;DR: 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime (CAS 1025164-82-2) is a chemical compound with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)methoxy]-2,3-diphenyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-imine
Also Known As: 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime, N-[(4-nitrophenyl)methoxy]-2,3-diphenyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-imine, N-[(4-nitrophenyl)methoxy]-2,3-diphenyl-3,3a,5,6,7,7a-hexahydrobenzo[d]isoxazol-4-imine
| Molecular Formula | C26H25N3O4 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 5.8292 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1845 |
| Heavy Atoms | 33 |
| Complexity | 1119.2936 |
Chemical Identifiers
| CAS Number | 1025164-82-2 |
|---|---|
| SMILES | C1CC2C(C(N(O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C1 |
Product Overview
2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime (CAS 1025164-82-2), with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol. IUPAC: N-[(4-nitrophenyl)methoxy]-2,3-diphenyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-imine.
Chemical Property Profile of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime
Property Insights of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime
The XLogP value of 5.8292 indicates that 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime. Following Lipinski's Rule of Five, 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime?
The CAS number of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime is 1025164-82-2.
What is the molecular formula of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime?
The molecular formula of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime is C26H25N3O4.
What is the molecular weight of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime?
The molecular weight of 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime is 443.18 g/mol.
Where can I buy 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime?
You can request a quote for 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,3-diphenylhexahydro-1,2-benzisoxazol-4(2H)-one O-(4-nitrobenzyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.