ChemDiv1_027380
TL;DR: ChemDiv1_027380 (CAS 5105-26-0) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv1_027380, BIM-0004812.P001, AH-357/03491060, 2-[(3,4-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(3,4-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 4.563 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 932.759 |
Chemical Identifiers
| CAS Number | 5105-26-0 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)OC)OC)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
ChemDiv1_027380 (CAS 5105-26-0), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv1_027380
Property Insights of ChemDiv1_027380
The XLogP value of 4.563 indicates that ChemDiv1_027380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027380. Following Lipinski's Rule of Five, ChemDiv1_027380 has 1 hydrogen bond donor(s) and 6 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_027380?
The CAS number of ChemDiv1_027380 is 5105-26-0.
What is the molecular formula of ChemDiv1_027380?
The molecular formula of ChemDiv1_027380 is C25H32O6.
What is the molecular weight of ChemDiv1_027380?
The molecular weight of ChemDiv1_027380 is 428.22 g/mol.
Where can I buy ChemDiv1_027380?
You can request a quote for ChemDiv1_027380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027380?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.