Bifurcarenone
TL;DR: Bifurcarenone (CAS 75872-68-3) is a chemical compound with molecular formula C27H38O5 and molecular weight 442.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one
Also Known As: BIFURCARENONE, (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one, (4E)-6-(2,5-Dihydroxy-3-methylphenyl)-1-{2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl}-4-methylhex-4-en-2-one
| Molecular Formula | C27H38O5 |
|---|---|
| Molecular Weight | 442.27 g/mol |
| LogP | 5.33702 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.2719 |
| Heavy Atoms | 32 |
| Complexity | 934.10046 |
Chemical Identifiers
| CAS Number | 75872-68-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)CC2(CCCC2(C)C(=O)/C=C/C(C)(C)O)C)O |
Product Overview
Bifurcarenone (CAS 75872-68-3), with molecular formula C27H38O5 and molecular weight 442.27 g/mol. IUPAC: (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[2-[(E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one.
Chemical Property Profile of Bifurcarenone
Property Insights of Bifurcarenone
The XLogP value of 5.33702 indicates that Bifurcarenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Bifurcarenone. Following Lipinski's Rule of Five, Bifurcarenone has 3 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 Bifurcarenone?
The CAS number of Bifurcarenone is 75872-68-3.
What is the molecular formula of Bifurcarenone?
The molecular formula of Bifurcarenone is C27H38O5.
What is the molecular weight of Bifurcarenone?
The molecular weight of Bifurcarenone is 442.27 g/mol.
Where can I buy Bifurcarenone?
You can request a quote for Bifurcarenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bifurcarenone?
Yes, KEHONG BIO provides custom synthesis services for Bifurcarenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.