Desethylpiperacillin
TL;DR: Desethylpiperacillin (CAS 6630-54-2) is a chemical compound with molecular formula C21H23N5O7S and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-[(3,5-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: Desethylpiperacillin, Desethyl-PIPC, Deethyl-piperacillin, KST-1A7254, KST-1A7255
| Molecular Formula | C21H23N5O7S |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.1318 |
| Heavy Atoms | 34 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 6630-54-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CC(=O)NC(=O)C4)C(=O)O)C |
| InChIKey | DUHMIUBGJVWIBF-KRWWSPQJSA-N |
Product Overview
Desethylpiperacillin (CAS 6630-54-2), with molecular formula C21H23N5O7S and molecular weight 489.13 g/mol. IUPAC: (2S,5R,6R)-6-[[2-[(3,5-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 Desethylpiperacillin
Property Insights of Desethylpiperacillin
The XLogP value of -0.2 indicates that Desethylpiperacillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Desethylpiperacillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desethylpiperacillin has 4 hydrogen bond donor(s) and 8 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 Desethylpiperacillin?
The CAS number of Desethylpiperacillin is 6630-54-2.
What is the molecular formula of Desethylpiperacillin?
The molecular formula of Desethylpiperacillin is C21H23N5O7S.
What is the molecular weight of Desethylpiperacillin?
The molecular weight of Desethylpiperacillin is 489.13 g/mol.
Where can I buy Desethylpiperacillin?
You can request a quote for Desethylpiperacillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desethylpiperacillin?
Yes, KEHONG BIO provides custom synthesis services for Desethylpiperacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.