3-Methylhexa-2,4-dienedioic acid
TL;DR: 3-Methylhexa-2,4-dienedioic acid (CAS 76799-85-4) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexa-2,4-dienedioic acid
Also Known As: 3-methylhexa-2,4-dienedioic acid, 2,4-Hexadienedioicacid,3-methyl, 2,4-Hexadienedioicacid, 3-methyl-, 2,4-Hexadienedioic acid, 3-methyl-, (2Z,4Z)-
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 76799-85-4 |
|---|---|
| SMILES | CC(=CC(=O)O)C=CC(=O)O |
| InChIKey | LEQDZBVDPGNGMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylhexa-2,4-dienedioic acid (CAS 76799-85-4), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 3-methylhexa-2,4-dienedioic acid.
Chemical Property Profile of 3-Methylhexa-2,4-dienedioic acid
Property Insights of 3-Methylhexa-2,4-dienedioic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylhexa-2,4-dienedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylhexa-2,4-dienedioic acid. Following Lipinski's Rule of Five, 3-Methylhexa-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 3-Methylhexa-2,4-dienedioic acid?
The CAS number of 3-Methylhexa-2,4-dienedioic acid is 76799-85-4.
What is the molecular formula of 3-Methylhexa-2,4-dienedioic acid?
The molecular formula of 3-Methylhexa-2,4-dienedioic acid is C7H8O4.
What is the molecular weight of 3-Methylhexa-2,4-dienedioic acid?
The molecular weight of 3-Methylhexa-2,4-dienedioic acid is 156.04 g/mol.
Where can I buy 3-Methylhexa-2,4-dienedioic acid?
You can request a quote for 3-Methylhexa-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 3-Methylhexa-2,4-dienedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylhexa-2,4-dienedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.