Ochrephilone
TL;DR: Ochrephilone (CAS 53014-38-3) is a chemical compound with molecular formula C23H26O5 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
Also Known As: Ochrephilone, MEGxm0_000198, ACon0_000532, ACon1_000466, (6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
| Molecular Formula | C23H26O5 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 3.979 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.178 |
| Heavy Atoms | 28 |
| Complexity | 882.66876 |
Chemical Identifiers
| CAS Number | 53014-38-3 |
|---|---|
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C |
Product Overview
Ochrephilone (CAS 53014-38-3), with molecular formula C23H26O5 and molecular weight 382.18 g/mol. IUPAC: (6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione.
Chemical Property Profile of Ochrephilone
Property Insights of Ochrephilone
The XLogP value of 3.979 indicates that Ochrephilone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochrephilone. Following Lipinski's Rule of Five, Ochrephilone has 0 hydrogen bond donor(s) and 5 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 Ochrephilone?
The CAS number of Ochrephilone is 53014-38-3.
What is the molecular formula of Ochrephilone?
The molecular formula of Ochrephilone is C23H26O5.
What is the molecular weight of Ochrephilone?
The molecular weight of Ochrephilone is 382.18 g/mol.
Where can I buy Ochrephilone?
You can request a quote for Ochrephilone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochrephilone?
Yes, KEHONG BIO provides custom synthesis services for Ochrephilone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.