![3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214125-50-4.webp)
3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214125-50-4) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.11984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(acetyloxymethyl)-8-oxo-7-(3-phenylbutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetoxymethyl)-8-oxo-7-(3-phenylbutanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-6-oxo-7-(3-phenylbutanoylamino)-2H,7H,7aH-azetidino[2,1-b] 1,3-thiazine-4-carboxylic acid, 3-(acetyloxymethyl)-8-oxo-7-(3-phenylbutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C20H22N2O6S |
| Molecular Weight | 418.11984 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.11984 Da |
| Heavy Atoms | 29 |
| Complexity | 730.0 |
| SMILES | CC(CC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)C3=CC=CC=C3 |
| InChIKey | NFWOAGOKRSGCBI-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214125-50-4.
What is the molecular formula of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C20H22N2O6S.
What is the molecular weight of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 418.11984 g/mol.
Where can I buy 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.