2,5-Dimethylhexa-2,4-dienedioic acid
TL;DR: 2,5-Dimethylhexa-2,4-dienedioic acid (CAS 20514-40-3) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylhexa-2,4-dienedioic acid
Also Known As: 2,5-Dimethyl-2,4-hexadienedioic acid, .alpha.,.alpha.'-Dimethylmuconic acid, 2,5-dimethylhexa-2,4-dienedioic acid, 2,4-Hexadienedioic acid, 2,5-dimethyl-, (2E,4E)-2,5-dimethylhexa-2,4-dienedioic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 20514-40-3 |
|---|---|
| SMILES | CC(=CC=C(C)C(=O)O)C(=O)O |
| InChIKey | HVMNFKUBOVSQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylhexa-2,4-dienedioic acid (CAS 20514-40-3), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 2,5-dimethylhexa-2,4-dienedioic acid.
Chemical Property Profile of 2,5-Dimethylhexa-2,4-dienedioic acid
Property Insights of 2,5-Dimethylhexa-2,4-dienedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethylhexa-2,4-dienedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethylhexa-2,4-dienedioic acid. Following Lipinski's Rule of Five, 2,5-Dimethylhexa-2,4-dienedioic 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 2,5-Dimethylhexa-2,4-dienedioic acid?
The CAS number of 2,5-Dimethylhexa-2,4-dienedioic acid is 20514-40-3.
What is the molecular formula of 2,5-Dimethylhexa-2,4-dienedioic acid?
The molecular formula of 2,5-Dimethylhexa-2,4-dienedioic acid is C8H10O4.
What is the molecular weight of 2,5-Dimethylhexa-2,4-dienedioic acid?
The molecular weight of 2,5-Dimethylhexa-2,4-dienedioic acid is 170.06 g/mol.
Where can I buy 2,5-Dimethylhexa-2,4-dienedioic acid?
You can request a quote for 2,5-Dimethylhexa-2,4-dienedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylhexa-2,4-dienedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylhexa-2,4-dienedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.