Ertapenem
TL;DR: Ertapenem (CAS 153832-46-3) is a chemical compound with molecular formula C22H25N3O7S and molecular weight 475.14133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Ertapenem, Invanz, Ertapenem [INN], ertapenemum, Ertapenem?
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H25N3O7S |
| Molecular Weight | 475.14133 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.14133 Da |
| Heavy Atoms | 33 |
| Complexity | 893.0 |
| Melting Point | 230-234 |
| Solubility | 2.86e-01 g/L |
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O |
| InChIKey | JUZNIMUFDBIJCM-ANEDZVCMSA-N |
Chemical Property Profile of Ertapenem
Property Insights of Ertapenem
The XLogP value of -1.5 indicates that Ertapenem is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Ertapenem may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ertapenem has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ertapenem?
The CAS number of Ertapenem is 153832-46-3.
What is the molecular formula of Ertapenem?
The molecular formula of Ertapenem is C22H25N3O7S.
What is the molecular weight of Ertapenem?
The molecular weight of Ertapenem is 475.14133 g/mol.
Where can I buy Ertapenem?
You can request a quote for Ertapenem directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ertapenem?
Yes, CoreyChem provides custom synthesis services for Ertapenem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.