2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
TL;DR: 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- (CAS 76799-84-3) 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.
2-methylhexa-2,4-dienedioic acid
Also Known As: 2-methylmuconic acid, 2-methylhexa-2,4-dienedioic acid, 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.6 |
| 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 | 76799-84-3 |
|---|---|
| SMILES | CC(=CC=CC(=O)O)C(=O)O |
| InChIKey | VCPQFDRBOZTBAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- (CAS 76799-84-3), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 2-methylhexa-2,4-dienedioic acid.
Chemical Property Profile of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
Property Insights of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-. Following Lipinski's Rule of Five, 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- 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 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-?
The CAS number of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- is 76799-84-3.
What is the molecular formula of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-?
The molecular formula of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- is C7H8O4.
What is the molecular weight of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-?
The molecular weight of 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- is 156.04 g/mol.
Where can I buy 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-?
You can request a quote for 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.