![3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214161-75-7.webp)
3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214161-75-7) is a chemical compound with molecular formula C23H21N3O10S and molecular weight 531.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[[5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetoxymethyl)-7-(5-((3-methyl-4-nitrophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[[5-[(3-methyl-4-nitrophenoxy)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-[(3-METHYL-4-NITROPHENOXY)METHYL]FURAN-2-AMIDO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C23H21N3O10S |
|---|---|
| Molecular Weight | 531.09 g/mol |
| LogP | 1.99052 |
| Topological Polar Surface Area | 178.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.0948 |
| Heavy Atoms | 37 |
| Complexity | 1333.7743 |
Chemical Identifiers
| CAS Number | 1214161-75-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O)[N+](=O)[O-] |
Product Overview
3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214161-75-7), with molecular formula C23H21N3O10S and molecular weight 531.09 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[5-[(3-methyl-4-nitrophenoxy)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-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)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 1.99052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. The TPSA of 178.52 Ų indicates high polarity, suggesting 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)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 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214161-75-7.
What is the molecular formula of 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C23H21N3O10S.
What is the molecular weight of 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 531.09 g/mol.
Where can I buy 3-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}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-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}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-[(acetyloxy)methyl]-7-[({5-[(3-methyl-4-nitrophenoxy)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.