Pederone
TL;DR: Pederone (CAS 16982-79-9) is a chemical compound with molecular formula C25H43NO9 and molecular weight 501.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide
Also Known As: Pederone, Pederon, 9-(4-nitro-phenyl)-9H-carbazole, 2H-Pyran-2-acetamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-5,5-dimethyl-4-oxo-2H-pyran-2-yl]methoxymethyl]tetrahydro-.alpha.-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-, 2H-Pyran-2-glycolamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-5,5-dimethyl-3-oxo-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-
| Molecular Formula | C25H43NO9 |
|---|---|
| Molecular Weight | 501.29 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 501.2938 |
| Heavy Atoms | 35 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 16982-79-9 |
|---|---|
| SMILES | CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(=O)C(C(O2)CC(COC)OC)(C)C)OC)O)OC)C |
| InChIKey | XWFDVJNZERXRSB-UHFFFAOYSA-N |
Product Overview
Pederone (CAS 16982-79-9), with molecular formula C25H43NO9 and molecular weight 501.29 g/mol. IUPAC: N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide.
Chemical Property Profile of Pederone
Property Insights of Pederone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pederone. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pederone. Following Lipinski's Rule of Five, Pederone has 2 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 Pederone?
The CAS number of Pederone is 16982-79-9.
What is the molecular formula of Pederone?
The molecular formula of Pederone is C25H43NO9.
What is the molecular weight of Pederone?
The molecular weight of Pederone is 501.29 g/mol.
Where can I buy Pederone?
You can request a quote for Pederone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pederone?
Yes, KEHONG BIO provides custom synthesis services for Pederone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.