J1.539.149I
TL;DR: J1.539.149I (CAS 337513-52-7) is a chemical compound with molecular formula C23H27FO4 and molecular weight 386.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: J1.539.149I, 2-((4-fluorophenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-[(4-fluorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-[(4-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2,2 -(4-Fluorobenzylidene)bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one)
| Molecular Formula | C23H27FO4 |
|---|---|
| Molecular Weight | 386.19 g/mol |
| LogP | 5.3117 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.18933 |
| Heavy Atoms | 28 |
| Complexity | 835.6823 |
Chemical Identifiers
| CAS Number | 337513-52-7 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)F)C3=C(CC(CC3=O)(C)C)O)O)C |
Product Overview
J1.539.149I (CAS 337513-52-7), with molecular formula C23H27FO4 and molecular weight 386.19 g/mol. IUPAC: 2-[(4-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of J1.539.149I
Property Insights of J1.539.149I
The XLogP value of 5.3117 indicates that J1.539.149I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.539.149I. Following Lipinski's Rule of Five, J1.539.149I has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.539.149I?
The CAS number of J1.539.149I is 337513-52-7.
What is the molecular formula of J1.539.149I?
The molecular formula of J1.539.149I is C23H27FO4.
What is the molecular weight of J1.539.149I?
The molecular weight of J1.539.149I is 386.19 g/mol.
Where can I buy J1.539.149I?
You can request a quote for J1.539.149I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.539.149I?
Yes, KEHONG BIO provides custom synthesis services for J1.539.149I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.