n-Octylpyruvat
TL;DR: n-Octylpyruvat (CAS 6655-84-1) is a chemical compound with molecular formula C25H20N4O4 and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-(2-methylphenyl)naphthalene-2-carboxamide
Also Known As: n-Octylpyruvat, PIGMENT RED 17, C.I. Pigment Red 17, C.I.Pigment Red 17, O848
| Molecular Formula | C25H20N4O4 |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.14847 |
| Heavy Atoms | 33 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 6655-84-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C)O |
| InChIKey | NWDMDFAMCIHORB-UHFFFAOYSA-N |
Product Overview
n-Octylpyruvat (CAS 6655-84-1), with molecular formula C25H20N4O4 and molecular weight 440.15 g/mol. IUPAC: 3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-(2-methylphenyl)naphthalene-2-carboxamide.
Chemical Property Profile of n-Octylpyruvat
Property Insights of n-Octylpyruvat
The XLogP value of 6.5 indicates that n-Octylpyruvat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Octylpyruvat. Following Lipinski's Rule of Five, n-Octylpyruvat has 2 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 n-Octylpyruvat?
The CAS number of n-Octylpyruvat is 6655-84-1.
What is the molecular formula of n-Octylpyruvat?
The molecular formula of n-Octylpyruvat is C25H20N4O4.
What is the molecular weight of n-Octylpyruvat?
The molecular weight of n-Octylpyruvat is 440.15 g/mol.
Where can I buy n-Octylpyruvat?
You can request a quote for n-Octylpyruvat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Octylpyruvat?
Yes, KEHONG BIO provides custom synthesis services for n-Octylpyruvat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.