Penicillanic Acid
TL;DR: Penicillanic Acid (CAS 87-53-6) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: PENICILLANIC ACID, Penicillansaure, Penicillanic Acids, Acid, Penicillanic, Sulbactam Impurity 9
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.04596 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04596 Da |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)O)C |
| InChIKey | RBKMMJSQKNKNEV-RITPCOANSA-N |
Product Description
Applications: Penicillanic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Penicillanic Acid (CAS 87-53-6) is a heterocyclic building block with the molecular formula C8H11NO3S and a molecular weight of 201.05 g/mol. Synonyms include PENICILLANIC ACID and Penicillansaure.
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 Penicillanic Acid
Property Insights of Penicillanic Acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillanic Acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillanic Acid. Following Lipinski's Rule of Five, Penicillanic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Penicillanic Acid?
The CAS number of Penicillanic Acid is 87-53-6.
What is the molecular formula of Penicillanic Acid?
The molecular formula of Penicillanic Acid is C8H11NO3S.
What is the molecular weight of Penicillanic Acid?
The molecular weight of Penicillanic Acid is 201.04596 g/mol.
What are the applications of Penicillanic Acid?
Penicillanic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Penicillanic Acid?
You can request a quote for Penicillanic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Penicillanic Acid?
Yes, CoreyChem provides custom synthesis services for Penicillanic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.