Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone
TL;DR: Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone (CAS 216698-07-6) is a chemical compound with molecular formula C32H44O4 and molecular weight 492.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] acetate
Also Known As: TINOGARD L01, Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone, 2 -benzofuranone,3-[2-5- phenyl]-5-, J2.382.321G, EC 431-770-1
| Molecular Formula | C32H44O4 |
|---|---|
| Molecular Weight | 492.32 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.32397 |
| Heavy Atoms | 36 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 216698-07-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)C2C3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)OC2=O |
| InChIKey | UHPDROGOQWZCNC-UHFFFAOYSA-N |
Product Overview
Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone (CAS 216698-07-6), with molecular formula C32H44O4 and molecular weight 492.32 g/mol. IUPAC: [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] acetate.
Chemical Property Profile of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone
Property Insights of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone
The XLogP value of 9.6 indicates that Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone has 0 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 Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone?
The CAS number of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone is 216698-07-6.
What is the molecular formula of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone?
The molecular formula of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone is C32H44O4.
What is the molecular weight of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone?
The molecular weight of Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone is 492.32 g/mol.
Where can I buy Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone?
You can request a quote for Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for Acetoxytetramethylbutylphenyl tetramethylbutylbenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.