p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside
TL;DR: p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside (CAS 102717-17-9) is a chemical compound with molecular formula C25H27NO9 and molecular weight 485.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-hydroxy-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl] benzoate
Also Known As: p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside, 4-Nitrophenyl 3-O-benzoyl-4,6-cyclohexylidene-b-D-mannopyranoside, p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene-b-D-mannopyranoside, [7-hydroxy-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl] benzoate
| Molecular Formula | C25H27NO9 |
|---|---|
| Molecular Weight | 485.17 g/mol |
| LogP | 3.3608 |
| Topological Polar Surface Area | 126.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.16858 |
| Heavy Atoms | 35 |
| Complexity | 1038.6628 |
Chemical Identifiers
| CAS Number | 102717-17-9 |
|---|---|
| SMILES | C1CCC2(CC1)OCC3C(O2)C(C(C(O3)OC4=CC=C(C=C4)[N+](=O)[O-])O)OC(=O)C5=CC=CC=C5 |
Product Overview
p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside (CAS 102717-17-9), with molecular formula C25H27NO9 and molecular weight 485.17 g/mol. IUPAC: [7-hydroxy-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl] benzoate.
Chemical Property Profile of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside
Property Insights of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside
The XLogP value of 3.3608 indicates that p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.59 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside. Following Lipinski's Rule of Five, p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside has 1 hydrogen bond donor(s) and 9 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 p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside?
The CAS number of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside is 102717-17-9.
What is the molecular formula of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside?
The molecular formula of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside is C25H27NO9.
What is the molecular weight of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside?
The molecular weight of p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside is 485.17 g/mol.
Where can I buy p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside?
You can request a quote for p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl 3-O-Benzoyl-4,6-cyclohexylidene--D-mannopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.