Nootkatin
TL;DR: Nootkatin (CAS 4431-03-2) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: Nootkatin, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-, 2-hydroxy-5-(3-methylbut-2-en-1-yl)-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, 2-hydroxy-4-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-(3- methyl-2-butenyl)-4-(1-methylethyl)-
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 4431-03-2 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O |
| InChIKey | MNMNTZYOZZLKSV-UHFFFAOYSA-N |
Product Overview
Nootkatin (CAS 4431-03-2), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of Nootkatin
Property Insights of Nootkatin
The XLogP value of 3.6 indicates that Nootkatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Nootkatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nootkatin has 1 hydrogen bond donor(s) and 2 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 Nootkatin?
The CAS number of Nootkatin is 4431-03-2.
What is the molecular formula of Nootkatin?
The molecular formula of Nootkatin is C15H20O2.
What is the molecular weight of Nootkatin?
The molecular weight of Nootkatin is 232.15 g/mol.
Where can I buy Nootkatin?
You can request a quote for Nootkatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nootkatin?
Yes, KEHONG BIO provides custom synthesis services for Nootkatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.