ChemDiv1_025058
TL;DR: ChemDiv1_025058 (CAS 314284-03-2) 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]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: ChemDiv1_025058, Hit2Lead 5194466, J3.217.798K, 2,2'-(3,4-dimethoxyphenyl)methylene bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one), 2,2 -(3,4-Dimethoxybenzylidene)bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one)
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 5.1898 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 927.7264 |
Chemical Identifiers
| CAS Number | 314284-03-2 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)OC)OC)C3=C(CC(CC3=O)(C)C)O)O)C |
Product Overview
ChemDiv1_025058 (CAS 314284-03-2), 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]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of ChemDiv1_025058
Property Insights of ChemDiv1_025058
The XLogP value of 5.1898 indicates that ChemDiv1_025058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025058. Following Lipinski's Rule of Five, ChemDiv1_025058 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025058?
The CAS number of ChemDiv1_025058 is 314284-03-2.
What is the molecular formula of ChemDiv1_025058?
The molecular formula of ChemDiv1_025058 is C25H32O6.
What is the molecular weight of ChemDiv1_025058?
The molecular weight of ChemDiv1_025058 is 428.22 g/mol.
Where can I buy ChemDiv1_025058?
You can request a quote for ChemDiv1_025058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025058?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.