2,5-Dimethyl-2,4-hexadienedioic acid
TL;DR: 2,5-Dimethyl-2,4-hexadienedioic acid (CAS 20514-41-4) 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.
(2E,4E)-2,5-dimethylhexa-2,4-dienedioic acid
Also Known As: 2,5-Dimethyl-2,4-hexadienedioic acid, 2,5-dimethylmuconic acid, (2E,4E)-2,5-dimethylhexa-2,4-dienedioic acid, alpha,alpha'-Dimethylmuconic acid, .alpha.,.alpha.'-Dimethylmuconic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.0482 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 232.23143 |
Chemical Identifiers
| CAS Number | 20514-41-4 |
|---|---|
| SMILES | C/C(=C\C=C(\C(=O)O)/C)/C(=O)O |
Product Overview
2,5-Dimethyl-2,4-hexadienedioic acid (CAS 20514-41-4), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: (2E,4E)-2,5-dimethylhexa-2,4-dienedioic acid.
Chemical Property Profile of 2,5-Dimethyl-2,4-hexadienedioic acid
Property Insights of 2,5-Dimethyl-2,4-hexadienedioic acid
The XLogP value of 1.0482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-2,4-hexadienedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-2,4-hexadienedioic acid. Following Lipinski's Rule of Five, 2,5-Dimethyl-2,4-hexadienedioic acid has 2 hydrogen bond donor(s) and 2 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-Dimethyl-2,4-hexadienedioic acid?
The CAS number of 2,5-Dimethyl-2,4-hexadienedioic acid is 20514-41-4.
What is the molecular formula of 2,5-Dimethyl-2,4-hexadienedioic acid?
The molecular formula of 2,5-Dimethyl-2,4-hexadienedioic acid is C8H10O4.
What is the molecular weight of 2,5-Dimethyl-2,4-hexadienedioic acid?
The molecular weight of 2,5-Dimethyl-2,4-hexadienedioic acid is 170.06 g/mol.
Where can I buy 2,5-Dimethyl-2,4-hexadienedioic acid?
You can request a quote for 2,5-Dimethyl-2,4-hexadienedioic 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-Dimethyl-2,4-hexadienedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-2,4-hexadienedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.