4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid
TL;DR: 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid (CAS 68516-38-1) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
Also Known As: MixCom6_002310, 4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid, (+-)-(2Z,4E)-4-Carboxy-3,7,11-trimethyl-2,4-dodecadienoic acid, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-, 2-Pentenedioic acid, 4-(3,7-dimethyloctylidene)-3-methyl-, (Z,E)-
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 68516-38-1 |
|---|---|
| SMILES | CC(C)CCCC(C)CC=C(C(=CC(=O)O)C)C(=O)O |
| InChIKey | AFAUEBFIKITXQG-UHFFFAOYSA-N |
Product Overview
4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid (CAS 68516-38-1), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: 4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid.
Chemical Property Profile of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid
Property Insights of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid
The XLogP value of 4.8 indicates that 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid. Following Lipinski's Rule of Five, 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid has 2 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 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid?
The CAS number of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid is 68516-38-1.
What is the molecular formula of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid?
The molecular formula of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid is C16H26O4.
What is the molecular weight of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid?
The molecular weight of 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid is 282.18 g/mol.
Where can I buy 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid?
You can request a quote for 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,7-Dimethyloctylidene)-3-methylpent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.