2-Methyl-5-methyleneadipic acid
TL;DR: 2-Methyl-5-methyleneadipic acid (CAS 5363-70-2) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-methylidenehexanedioic acid
Also Known As: 2-Methyl-5-methyleneadipic acid, 2-methyl-5-methylenehexanedioic acid, 2-methyl-5-methylidenehexanedioic acid, 2-methyl-5-methylen-adipic acid, Hexanedioic acid,2-methyl-5-methylene-
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 5363-70-2 |
|---|---|
| SMILES | CC(CCC(=C)C(=O)O)C(=O)O |
| InChIKey | BMQHCCUIUKBSNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-methyleneadipic acid (CAS 5363-70-2), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 2-methyl-5-methylidenehexanedioic acid.
Chemical Property Profile of 2-Methyl-5-methyleneadipic acid
Property Insights of 2-Methyl-5-methyleneadipic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-methyleneadipic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-methyleneadipic acid. Following Lipinski's Rule of Five, 2-Methyl-5-methyleneadipic 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-Methyl-5-methyleneadipic acid?
The CAS number of 2-Methyl-5-methyleneadipic acid is 5363-70-2.
What is the molecular formula of 2-Methyl-5-methyleneadipic acid?
The molecular formula of 2-Methyl-5-methyleneadipic acid is C8H12O4.
What is the molecular weight of 2-Methyl-5-methyleneadipic acid?
The molecular weight of 2-Methyl-5-methyleneadipic acid is 172.07 g/mol.
Where can I buy 2-Methyl-5-methyleneadipic acid?
You can request a quote for 2-Methyl-5-methyleneadipic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-methyleneadipic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-methyleneadipic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.