Piperacillin monohydrate
TL;DR: Piperacillin monohydrate (CAS 66258-76-2) is a chemical compound with molecular formula C23H29N5O8S and molecular weight 535.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
Also Known As: Piperacillin hydrate, piperacillin, Piperacillin monohydrate, Piperacillin RS, Piperacillinhydrate
| Molecular Formula | C23H29N5O8S |
|---|---|
| Molecular Weight | 535.17 g/mol |
| LogP | -1.06 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1737 |
| Heavy Atoms | 37 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 66258-76-2 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.O |
| InChIKey | NBXPLBPWMYNZTC-IDYPWDAWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperacillin monohydrate (CAS 66258-76-2), with molecular formula C23H29N5O8S and molecular weight 535.17 g/mol. IUPAC: (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate.
Chemical Property Profile of Piperacillin monohydrate
Property Insights of Piperacillin monohydrate
The XLogP value of -1.06 indicates that Piperacillin monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting Piperacillin monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piperacillin monohydrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperacillin monohydrate?
The CAS number of Piperacillin monohydrate is 66258-76-2.
What is the molecular formula of Piperacillin monohydrate?
The molecular formula of Piperacillin monohydrate is C23H29N5O8S.
What is the molecular weight of Piperacillin monohydrate?
The molecular weight of Piperacillin monohydrate is 535.17 g/mol.
Where can I buy Piperacillin monohydrate?
You can request a quote for Piperacillin monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperacillin monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Piperacillin monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.