2-Oxokolavelool
TL;DR: 2-Oxokolavelool (CAS 7235-04-3) is a chemical compound with molecular formula C20H32O2 and molecular weight 304.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Also Known As: 2-Oxokolavelool, 13-Epi-2-oxo-kolavelool, (-)-13-epi-Roseostachenone, 8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one, 8-(3-Hydroxy-3-methylpent-4-en-1-yl)-4,4a,7,8-tetramethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
| Molecular Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.24 g/mol |
| LogP | 4.6814 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.24023 |
| Heavy Atoms | 22 |
| Complexity | 501.83664 |
Chemical Identifiers
| CAS Number | 7235-04-3 |
|---|---|
| SMILES | CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C |
Product Overview
2-Oxokolavelool (CAS 7235-04-3), with molecular formula C20H32O2 and molecular weight 304.24 g/mol. IUPAC: 8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one.
Chemical Property Profile of 2-Oxokolavelool
Property Insights of 2-Oxokolavelool
The XLogP value of 4.6814 indicates that 2-Oxokolavelool is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Oxokolavelool exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxokolavelool 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 2-Oxokolavelool?
The CAS number of 2-Oxokolavelool is 7235-04-3.
What is the molecular formula of 2-Oxokolavelool?
The molecular formula of 2-Oxokolavelool is C20H32O2.
What is the molecular weight of 2-Oxokolavelool?
The molecular weight of 2-Oxokolavelool is 304.24 g/mol.
Where can I buy 2-Oxokolavelool?
You can request a quote for 2-Oxokolavelool directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxokolavelool?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxokolavelool and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.