![3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/4552/4552-93-6.webp)
3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 4552-93-6) is a chemical compound with molecular formula C22H18BrClN2O8S and molecular weight 583.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)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-bromo-2-chlorophenoxy)methyl]-2-furoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[({5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(Acetyloxy)methyl]-7-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C22H18BrClN2O8S |
|---|---|
| Molecular Weight | 583.97 g/mol |
| LogP | 3.1898 |
| Topological Polar Surface Area | 135.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 583.9656 |
| Heavy Atoms | 35 |
| Complexity | 1245.7941 |
Chemical Identifiers
| CAS Number | 4552-93-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Br)Cl)SC1)C(=O)O |
Product Overview
3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 4552-93-6), with molecular formula C22H18BrClN2O8S and molecular weight 583.97 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 3.1898 indicates that 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 4552-93-6.
What is the molecular formula of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C22H18BrClN2O8S.
What is the molecular weight of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 583.97 g/mol.
Where can I buy 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-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.