Ertapenem disodium
TL;DR: Ertapenem disodium (CAS 153773-82-1) is a chemical compound with molecular formula C22H23N3Na2O7S and molecular weight 519.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Also Known As: Ertapenem disodium, Ertapenem sodium, Invanz, ertapenem monosodium, Ertapenem Disodium 90%
Technical Specifications
| Molecular Formula | C22H23N3Na2O7S |
| Molecular Weight | 519.1052 g/mol |
| XLogP | -7.7207 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1052 Da |
| Heavy Atoms | 35 |
| Complexity | 882.0 |
| 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.[Na+].[Na+] |
| InChIKey | KMVRATCHVMUJHM-SHZCTIMHSA-L |
Chemical Property Profile of Ertapenem disodium
Property Insights of Ertapenem disodium
The XLogP value of -7.7207 indicates that Ertapenem disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting Ertapenem disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ertapenem disodium has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ertapenem disodium?
The CAS number of Ertapenem disodium is 153773-82-1.
What is the molecular formula of Ertapenem disodium?
The molecular formula of Ertapenem disodium is C22H23N3Na2O7S.
What is the molecular weight of Ertapenem disodium?
The molecular weight of Ertapenem disodium is 519.1052 g/mol.
Where can I buy Ertapenem disodium?
You can request a quote for Ertapenem disodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ertapenem disodium?
Yes, CoreyChem provides custom synthesis services for Ertapenem disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.