AB00598074-04
TL;DR: AB00598074-04 (CAS 1214040-19-3) is a chemical compound with molecular formula C17H19ClN4O6S and molecular weight 442.07138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(acetyloxymethyl)-7-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: AB00598074-04, 3-[(acetyloxy)methyl]-7-{[3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetoxymethyl)-7-(3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(ACETYLOXY)METHYL]-7-[3-(4-CHLORO-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C17H19ClN4O6S |
| Molecular Weight | 442.07138 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.07138 Da |
| Heavy Atoms | 29 |
| Complexity | 762.0 |
| SMILES | CC(CN1C=C(C=N1)Cl)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O |
| InChIKey | VPIBZGSOORZASO-UHFFFAOYSA-N |
Chemical Property Profile of AB00598074-04
Property Insights of AB00598074-04
The XLogP value of -0.4 indicates that AB00598074-04 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting AB00598074-04 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00598074-04 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00598074-04?
The CAS number of AB00598074-04 is 1214040-19-3.
What is the molecular formula of AB00598074-04?
The molecular formula of AB00598074-04 is C17H19ClN4O6S.
What is the molecular weight of AB00598074-04?
The molecular weight of AB00598074-04 is 442.07138 g/mol.
Where can I buy AB00598074-04?
You can request a quote for AB00598074-04 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00598074-04?
Yes, CoreyChem provides custom synthesis services for AB00598074-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.