哌拉西林
TL;DR: 哌拉西林 (CAS 61477-96-1) is a chemical compound with molecular formula C23H27N5O7S and molecular weight 517.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哌拉西林
6-[[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
Also Known As: piperacillin, Pipracil, PIPERACILLIN SODIUM, BAS 00444354, 6-Aminopenicillanic acid (Penicin), derivative of
| Molecular Formula | C23H27N5O7S |
|---|---|
| Molecular Weight | 517.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.16315 |
| Heavy Atoms | 36 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 61477-96-1 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| InChIKey | IVBHGBMCVLDMKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
哌拉西林 (CAS 61477-96-1), with molecular formula C23H27N5O7S and molecular weight 517.16 g/mol. IUPAC: 6-[[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.
Chemical Property Profile of 哌拉西林
Property Insights of 哌拉西林
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 哌拉西林. The TPSA of 182.0 Ų indicates high polarity, suggesting 哌拉西林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 哌拉西林 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 哌拉西林?
The CAS number of 哌拉西林 is 61477-96-1.
What is the molecular formula of 哌拉西林?
The molecular formula of 哌拉西林 is C23H27N5O7S.
What is the molecular weight of 哌拉西林?
The molecular weight of 哌拉西林 is 517.16 g/mol.
Where can I buy 哌拉西林?
You can request a quote for 哌拉西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哌拉西林?
Yes, KEHONG BIO provides custom synthesis services for 哌拉西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.