![3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214638-92-2.webp)
3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214638-92-2) is a chemical compound with molecular formula C22H19BrN2O8S and molecular weight 550.0046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(acetyloxymethyl)-7-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(ACETYLOXY)METHYL]-7-[({5-[(4-BROMOPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, 3-[(Acetyloxy)methyl]-7-[[[5-[(4-bromophenoxy)methyl]-2-furanyl]carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C22H19BrN2O8S |
| Molecular Weight | 550.0046 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.0046 Da |
| Heavy Atoms | 34 |
| Complexity | 875.0 |
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)Br)SC1)C(=O)O |
| InChIKey | FYXQHTSRNCKMOY-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. The TPSA of 161.0 Ų indicates high polarity, suggesting 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 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 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214638-92-2.
What is the molecular formula of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C22H19BrN2O8S.
What is the molecular weight of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 550.0046 g/mol.
Where can I buy 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-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]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(acetyloxy)methyl]-7-[({5-[(4-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-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.