ChemDiv1_024203
TL;DR: ChemDiv1_024203 (CAS 315671-82-0) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv1_024203, BIM-0016972.P001, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C26H34O7 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 4.5716 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.23044 |
| Heavy Atoms | 33 |
| Complexity | 970.4619 |
Chemical Identifiers
| CAS Number | 315671-82-0 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
ChemDiv1_024203 (CAS 315671-82-0), with molecular formula C26H34O7 and molecular weight 458.23 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv1_024203
Property Insights of ChemDiv1_024203
The XLogP value of 4.5716 indicates that ChemDiv1_024203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024203. Following Lipinski's Rule of Five, ChemDiv1_024203 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_024203?
The CAS number of ChemDiv1_024203 is 315671-82-0.
What is the molecular formula of ChemDiv1_024203?
The molecular formula of ChemDiv1_024203 is C26H34O7.
What is the molecular weight of ChemDiv1_024203?
The molecular weight of ChemDiv1_024203 is 458.23 g/mol.
Where can I buy ChemDiv1_024203?
You can request a quote for ChemDiv1_024203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024203?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.