![Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate structure](/static/products/1002/100208-33-1.webp)
Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate
TL;DR: Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate (CAS 100208-33-1) is a chemical compound with molecular formula C30H54O8 and molecular weight 542.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] hexanedioate
Also Known As: BIS[1-ISOPROPYL-2,2-DIMETHYL-3-(2-METHYL-1-OXOPROPOXY)PROPYL] ADIPATE, bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] hexanedioate, Bis(1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) adipate, Bis(1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl) adipate, Bis{2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl} hexanedioate
| Molecular Formula | C30H54O8 |
|---|---|
| Molecular Weight | 542.38 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 542.3819 |
| Heavy Atoms | 38 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 100208-33-1 |
|---|---|
| SMILES | CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)CCCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C |
| InChIKey | OBTPBXTVFUGBNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate (CAS 100208-33-1), with molecular formula C30H54O8 and molecular weight 542.38 g/mol. IUPAC: bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] hexanedioate.
Chemical Property Profile of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate
Property Insights of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate
The XLogP value of 7.6 indicates that Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate. Following Lipinski's Rule of Five, Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate?
The CAS number of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate is 100208-33-1.
What is the molecular formula of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate?
The molecular formula of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate is C30H54O8.
What is the molecular weight of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate?
The molecular weight of Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate is 542.38 g/mol.
Where can I buy Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate?
You can request a quote for Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate?
Yes, KEHONG BIO provides custom synthesis services for Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.