Herbertenone A
TL;DR: Herbertenone A (CAS 325773-46-4) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one
Also Known As: Herbertenone A, J1.421.726F, (4S)-4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one, (4S*)-2-(1,2,2-Trimethylcyclopentyl)-4-hydroxy-4-methylcyclohexa-2,5-diene, 4-Hydroxy-4-methyl-2-(1,2,2-trimethyl-cyclopentyl)-cyclohexa-2,5-dienone
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 325773-46-4 |
|---|---|
| SMILES | C[C@@]1(CCCC1(C)C)C2=C[C@@](C=CC2=O)(C)O |
| InChIKey | IAHVMQAYDBMMQB-LSDHHAIUSA-N |
Product Overview
Herbertenone A (CAS 325773-46-4), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4S)-4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one.
Chemical Property Profile of Herbertenone A
Property Insights of Herbertenone A
The XLogP value of 3.4 indicates that Herbertenone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Herbertenone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Herbertenone A 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 Herbertenone A?
The CAS number of Herbertenone A is 325773-46-4.
What is the molecular formula of Herbertenone A?
The molecular formula of Herbertenone A is C15H22O2.
What is the molecular weight of Herbertenone A?
The molecular weight of Herbertenone A is 234.16 g/mol.
Where can I buy Herbertenone A?
You can request a quote for Herbertenone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbertenone A?
Yes, KEHONG BIO provides custom synthesis services for Herbertenone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.