2-Methyl-5-oxohex-3-enedioic acid
TL;DR: 2-Methyl-5-oxohex-3-enedioic acid (CAS 6918-07-6) is a chemical compound with molecular formula C7H8O5 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxohex-3-enedioic acid
Also Known As: 2-methyl-5-oxohex-3-enedioic acid
| Molecular Formula | C7H8O5 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.03717 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 6918-07-6 |
|---|---|
| SMILES | CC(C=CC(=O)C(=O)O)C(=O)O |
| InChIKey | OQBDUIUEEGGDSS-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-oxohex-3-enedioic acid (CAS 6918-07-6), with molecular formula C7H8O5 and molecular weight 172.04 g/mol. IUPAC: 2-methyl-5-oxohex-3-enedioic acid.
Chemical Property Profile of 2-Methyl-5-oxohex-3-enedioic acid
Property Insights of 2-Methyl-5-oxohex-3-enedioic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-oxohex-3-enedioic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-oxohex-3-enedioic acid. Following Lipinski's Rule of Five, 2-Methyl-5-oxohex-3-enedioic acid has 2 hydrogen bond donor(s) and 5 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-oxohex-3-enedioic acid?
The CAS number of 2-Methyl-5-oxohex-3-enedioic acid is 6918-07-6.
What is the molecular formula of 2-Methyl-5-oxohex-3-enedioic acid?
The molecular formula of 2-Methyl-5-oxohex-3-enedioic acid is C7H8O5.
What is the molecular weight of 2-Methyl-5-oxohex-3-enedioic acid?
The molecular weight of 2-Methyl-5-oxohex-3-enedioic acid is 172.04 g/mol.
Where can I buy 2-Methyl-5-oxohex-3-enedioic acid?
You can request a quote for 2-Methyl-5-oxohex-3-enedioic 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-oxohex-3-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-oxohex-3-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.