2-Oxosuberate
TL;DR: 2-Oxosuberate (CAS 96406-05-2) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxooctanedioic acid
Also Known As: 2-Oxosuberate, 2-Ketosuberate, alpha-Ketosuberate, 2-oxooctanedioic acid, alpha-Ketosuberic acid
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 96406-05-2 |
|---|---|
| SMILES | C(CCC(=O)C(=O)O)CCC(=O)O |
| InChIKey | HAGOOZVJLSSXGZ-UHFFFAOYSA-N |
Product Overview
2-Oxosuberate (CAS 96406-05-2), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: 2-oxooctanedioic acid.
Chemical Property Profile of 2-Oxosuberate
Property Insights of 2-Oxosuberate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxosuberate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxosuberate. Following Lipinski's Rule of Five, 2-Oxosuberate 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-Oxosuberate?
The CAS number of 2-Oxosuberate is 96406-05-2.
What is the molecular formula of 2-Oxosuberate?
The molecular formula of 2-Oxosuberate is C8H12O5.
What is the molecular weight of 2-Oxosuberate?
The molecular weight of 2-Oxosuberate is 188.07 g/mol.
Where can I buy 2-Oxosuberate?
You can request a quote for 2-Oxosuberate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxosuberate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxosuberate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.