Dihexyl 2-methylidenebutanedioate
TL;DR: Dihexyl 2-methylidenebutanedioate (CAS 13436-49-2) is a chemical compound with molecular formula C17H30O4 and molecular weight 298.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexyl 2-methylidenebutanedioate
Also Known As: dihexyl itaconate, di-n-hexyl itaconate, Bis(hexyl)itaconate, dihexyl 2-methylidenebutanedioate, bis(hexyl) itaconate
| Molecular Formula | C17H30O4 |
|---|---|
| Molecular Weight | 298.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 298.21442 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 13436-49-2 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(=C)C(=O)OCCCCCC |
| InChIKey | MHAOABLQRSMPKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl 2-methylidenebutanedioate (CAS 13436-49-2), with molecular formula C17H30O4 and molecular weight 298.21 g/mol. IUPAC: dihexyl 2-methylidenebutanedioate.
Chemical Property Profile of Dihexyl 2-methylidenebutanedioate
Property Insights of Dihexyl 2-methylidenebutanedioate
The XLogP value of 5.2 indicates that Dihexyl 2-methylidenebutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dihexyl 2-methylidenebutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl 2-methylidenebutanedioate 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 Dihexyl 2-methylidenebutanedioate?
The CAS number of Dihexyl 2-methylidenebutanedioate is 13436-49-2.
What is the molecular formula of Dihexyl 2-methylidenebutanedioate?
The molecular formula of Dihexyl 2-methylidenebutanedioate is C17H30O4.
What is the molecular weight of Dihexyl 2-methylidenebutanedioate?
The molecular weight of Dihexyl 2-methylidenebutanedioate is 298.21 g/mol.
Where can I buy Dihexyl 2-methylidenebutanedioate?
You can request a quote for Dihexyl 2-methylidenebutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl 2-methylidenebutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl 2-methylidenebutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.