4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate
TL;DR: 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate (CAS 690990-61-5) is a chemical compound with molecular formula C30H32O6 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]phenyl] benzoate
Also Known As: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]phenyl] Benzoate|[4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]phenyl] benzoate|4-(bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate|4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenyl benzoate
| Molecular Formula | C30H32O6 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 6.3918 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.21988 |
| Heavy Atoms | 36 |
| Complexity | 1210.2772 |
Chemical Identifiers
| CAS Number | 690990-61-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C |
Product Overview
4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate (CAS 690990-61-5), with molecular formula C30H32O6 and molecular weight 488.22 g/mol. IUPAC: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]phenyl] benzoate.
Chemical Property Profile of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate
Property Insights of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate
The XLogP value of 6.3918 indicates that 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate. Following Lipinski's Rule of Five, 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate 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 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate?
The CAS number of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate is 690990-61-5.
What is the molecular formula of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate?
The molecular formula of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate is C30H32O6.
What is the molecular weight of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate?
The molecular weight of 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate is 488.22 g/mol.
Where can I buy 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate?
You can request a quote for 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.