Dimethyl 2,2,5,5-tetramethylhexanedioate
TL;DR: Dimethyl 2,2,5,5-tetramethylhexanedioate (CAS 17219-17-9) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2,5,5-tetramethylhexanedioate
Also Known As: Dimethyl 2,2,5,5-tetramethylhexanedioate, J1.189.313I, 1,6-dimethyl 2,2,5,5-tetramethylhexanedioate, 2,2,5,5-Tetramethylhexanedioic acid dimethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.165 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 238.19232 |
Chemical Identifiers
| CAS Number | 17219-17-9 |
|---|---|
| SMILES | CC(C)(CCC(C)(C)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2,2,5,5-tetramethylhexanedioate (CAS 17219-17-9), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dimethyl 2,2,5,5-tetramethylhexanedioate.
Chemical Property Profile of Dimethyl 2,2,5,5-tetramethylhexanedioate
Property Insights of Dimethyl 2,2,5,5-tetramethylhexanedioate
The XLogP value of 2.165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2,5,5-tetramethylhexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2,5,5-tetramethylhexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2,5,5-tetramethylhexanedioate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2,2,5,5-tetramethylhexanedioate?
The CAS number of Dimethyl 2,2,5,5-tetramethylhexanedioate is 17219-17-9.
What is the molecular formula of Dimethyl 2,2,5,5-tetramethylhexanedioate?
The molecular formula of Dimethyl 2,2,5,5-tetramethylhexanedioate is C12H22O4.
What is the molecular weight of Dimethyl 2,2,5,5-tetramethylhexanedioate?
The molecular weight of Dimethyl 2,2,5,5-tetramethylhexanedioate is 230.15 g/mol.
Where can I buy Dimethyl 2,2,5,5-tetramethylhexanedioate?
You can request a quote for Dimethyl 2,2,5,5-tetramethylhexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2,5,5-tetramethylhexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2,5,5-tetramethylhexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.