2-Hexa-2,4-dienylmalonic acid, dimethyl ester
TL;DR: 2-Hexa-2,4-dienylmalonic acid, dimethyl ester (CAS 75283-60-2) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2E,4E)-hexa-2,4-dienyl]propanedioate
Also Known As: dimethyl 2-[(2E,4E)-hexa-2,4-dienyl]propanedioate, J2.243.989H, 2-(2,4-Hexadienyl)malonic acid dimethyl ester, 2-Hexa-2,4-dienylmalonic acid, dimethyl ester, Dimethyl 2-[(2E,4E)-2,4-hexadienyl]malonate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.471 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 249.76149 |
Chemical Identifiers
| CAS Number | 75283-60-2 |
|---|---|
| SMILES | C/C=C/C=C/CC(C(=O)OC)C(=O)OC |
Product Overview
2-Hexa-2,4-dienylmalonic acid, dimethyl ester (CAS 75283-60-2), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: dimethyl 2-[(2E,4E)-hexa-2,4-dienyl]propanedioate.
Chemical Property Profile of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester
Property Insights of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester
The XLogP value of 1.471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexa-2,4-dienylmalonic acid, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Hexa-2,4-dienylmalonic acid, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexa-2,4-dienylmalonic acid, dimethyl ester 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 2-Hexa-2,4-dienylmalonic acid, dimethyl ester?
The CAS number of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester is 75283-60-2.
What is the molecular formula of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester?
The molecular formula of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester is C11H16O4.
What is the molecular weight of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester?
The molecular weight of 2-Hexa-2,4-dienylmalonic acid, dimethyl ester is 212.10 g/mol.
Where can I buy 2-Hexa-2,4-dienylmalonic acid, dimethyl ester?
You can request a quote for 2-Hexa-2,4-dienylmalonic acid, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexa-2,4-dienylmalonic acid, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexa-2,4-dienylmalonic acid, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.