Phomenone
TL;DR: Phomenone (CAS 55785-58-5) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Also Known As: Phomenone, (+)-Phomenone, MEGxm0_000426, KST-1A6158, SID:346369462
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 55785-58-5 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)CO)O |
| InChIKey | WKZMDQXEUJZALS-OANMRLRGSA-N |
Product Overview
Phomenone (CAS 55785-58-5), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one.
Chemical Property Profile of Phomenone
Property Insights of Phomenone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phomenone. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phomenone. Following Lipinski's Rule of Five, Phomenone has 2 hydrogen bond donor(s) and 4 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 Phomenone?
The CAS number of Phomenone is 55785-58-5.
What is the molecular formula of Phomenone?
The molecular formula of Phomenone is C15H20O4.
What is the molecular weight of Phomenone?
The molecular weight of Phomenone is 264.14 g/mol.
Where can I buy Phomenone?
You can request a quote for Phomenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phomenone?
Yes, KEHONG BIO provides custom synthesis services for Phomenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.