2,3-Dimethylpentyl 2-ethylpentyl heptanedioate
TL;DR: 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate (CAS 68515-75-3) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2,3-dimethylpentyl) 7-O-(2-ethylpentyl) heptanedioate
Also Known As: 2,3-dimethylpentyl 2-ethylpentyl heptanedioate, Adipic acid, dialkyl(C7-C9) ester, 1-O-(2,3-dimethylpentyl) 7-O-(2-ethylpentyl) heptanedioate, Hexanedioic acid, di-C7-9-branched and linear alkyl esters
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 68515-75-3 |
|---|---|
| SMILES | CCCC(CC)COC(=O)CCCCCC(=O)OCC(C)C(C)CC |
| InChIKey | LGSZANJCUXRKNT-UHFFFAOYSA-N |
Product Overview
2,3-Dimethylpentyl 2-ethylpentyl heptanedioate (CAS 68515-75-3), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: 1-O-(2,3-dimethylpentyl) 7-O-(2-ethylpentyl) heptanedioate.
Chemical Property Profile of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate
Property Insights of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate
The XLogP value of 6.4 indicates that 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate 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 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate?
The CAS number of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate is 68515-75-3.
What is the molecular formula of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate?
The molecular formula of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate is C21H40O4.
What is the molecular weight of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate?
The molecular weight of 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate is 356.29 g/mol.
Where can I buy 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate?
You can request a quote for 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylpentyl 2-ethylpentyl heptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.