![[3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate structure](/static/products/4196/4196-36-5.webp)
[3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
TL;DR: [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate (CAS 4196-36-5) is a chemical compound with molecular formula C41H39NO9 and molecular weight 689.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
Also Known As: A B C 4-nitrobenzoate, 2,3,3-trimethyl-3h-benz[g]indole, [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate, (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)-methyl)tetrahydro-2H-pyran-2-yl 4-nitrobenzoate, 2,3,4,6-Tetra-O-benzyl-D-glucose-1-p-nitrobenzoate
| Molecular Formula | C41H39NO9 |
|---|---|
| Molecular Weight | 689.26 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 689.2625 |
| Heavy Atoms | 51 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 4196-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6 |
| InChIKey | IJTANGJQVDVKFH-UHFFFAOYSA-N |
Product Overview
[3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate (CAS 4196-36-5), with molecular formula C41H39NO9 and molecular weight 689.26 g/mol. IUPAC: [3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate.
Chemical Property Profile of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
Property Insights of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate
The XLogP value of 7.0 indicates that [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate. Following Lipinski's Rule of Five, [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate?
The CAS number of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate is 4196-36-5.
What is the molecular formula of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate?
The molecular formula of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate is C41H39NO9.
What is the molecular weight of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate?
The molecular weight of [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate is 689.26 g/mol.
Where can I buy [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate?
You can request a quote for [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-Tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.