Sigma-LIGAND-1
TL;DR: Sigma-LIGAND-1 (CAS 139652-01-0) is a chemical compound with molecular formula C27H33NO4 and molecular weight 435.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one
Also Known As: Sigma-LIGAND-1, Npc 16377, 6-[6-(4-hydroxypiperidinyl)hexyloxy]-3-methyl-flavone, 6-[6-(4-hydroxy-1-piperidyl)hexoxy]-3-methyl-2-phenyl-chromen-4-one, 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one
| Molecular Formula | C27H33NO4 |
|---|---|
| Molecular Weight | 435.24 g/mol |
| LogP | 5.16432 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.24097 |
| Heavy Atoms | 32 |
| Complexity | 1068.2017 |
Chemical Identifiers
| CAS Number | 139652-01-0 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4=CC=CC=C4 |
Product Overview
Sigma-LIGAND-1 (CAS 139652-01-0), with molecular formula C27H33NO4 and molecular weight 435.24 g/mol. IUPAC: 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one.
Chemical Property Profile of Sigma-LIGAND-1
Property Insights of Sigma-LIGAND-1
The XLogP value of 5.16432 indicates that Sigma-LIGAND-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Sigma-LIGAND-1. Following Lipinski's Rule of Five, Sigma-LIGAND-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sigma-LIGAND-1?
The CAS number of Sigma-LIGAND-1 is 139652-01-0.
What is the molecular formula of Sigma-LIGAND-1?
The molecular formula of Sigma-LIGAND-1 is C27H33NO4.
What is the molecular weight of Sigma-LIGAND-1?
The molecular weight of Sigma-LIGAND-1 is 435.24 g/mol.
Where can I buy Sigma-LIGAND-1?
You can request a quote for Sigma-LIGAND-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigma-LIGAND-1?
Yes, KEHONG BIO provides custom synthesis services for Sigma-LIGAND-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.