4-Oxosebacic Acid
TL;DR: 4-Oxosebacic Acid (CAS 114212-45-2) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxodecanedioic acid
Also Known As: 4-OXOSEBACIC ACID, 4-oxodecanedioic acid, Decanedioic acid, 4-oxo-, 3-Oxo-1,8-octanedicarboxylic acid, J1.611.271B
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O5 |
| Molecular Weight | 216.09978 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.09978 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | C(CCC(=O)CCC(=O)O)CCC(=O)O |
| InChIKey | XTQIBFVBYWIHIP-UHFFFAOYSA-N |
Product Description
Applications: 4-Oxosebacic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Oxosebacic Acid is a pharmaceutical intermediate identified by CAS number 114212-45-2 and the molecular formula C10H16O5 and a molecular weight of 216.1 g/mol. Synonyms include 4-OXOSEBACIC ACID and 4-oxodecanedioic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Oxosebacic Acid
Property Insights of 4-Oxosebacic Acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxosebacic Acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxosebacic Acid. Following Lipinski's Rule of Five, 4-Oxosebacic 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
What is the CAS number of 4-Oxosebacic Acid?
The CAS number of 4-Oxosebacic Acid is 114212-45-2.
What is the molecular formula of 4-Oxosebacic Acid?
The molecular formula of 4-Oxosebacic Acid is C10H16O5.
What is the molecular weight of 4-Oxosebacic Acid?
The molecular weight of 4-Oxosebacic Acid is 216.09978 g/mol.
What are the applications of 4-Oxosebacic Acid?
4-Oxosebacic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Oxosebacic Acid?
You can request a quote for 4-Oxosebacic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxosebacic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxosebacic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.