FR 86521
TL;DR: FR 86521 (CAS 157436-96-9) is a chemical compound with molecular formula C19H24ClN9O6S2 and molecular weight 573.09796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Also Known As: FR 86521, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(ethoxyimino)acetyl)amino)-3-((2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl)methyl)-8-oxo-, monohydrochloride, (6R,7R)-, (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((5-amino-1,2,4-thiadiazol-3-yl)(ethoxyimino)acetyl)amino)-3-((2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl)methyl)-8-oxo-, monohydrochloride, (6R-(6alpha,7beta(Z)))-, 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((5-AMINO-1,2,4-THIADIAZOL-3-YL)(ETHOXYIMINO)ACETYL)AMINO)-3-((2,3-DIHYDRO-2-(2-HYDROXYETHYL)-3-IMINO-1H-PYRAZOL-1-YL)METHYL)-8-OXO-, MONOHYDROCHLORIDE, (6R-(6.ALPHA.,7.BETA.(Z)))-
Technical Specifications
| Molecular Formula | C19H24ClN9O6S2 |
| Molecular Weight | 573.09796 g/mol |
| XLogP | -1.20373 |
| Topological Polar Surface Area (TPSA) | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 573.09796 Da |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
| SMILES | CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.Cl |
| InChIKey | ZJEUAMFIXOBBRL-IEPLSYDESA-N |
Chemical Property Profile of FR 86521
Property Insights of FR 86521
The XLogP value of -1.20373 indicates that FR 86521 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting FR 86521 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 86521 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of FR 86521?
The CAS number of FR 86521 is 157436-96-9.
What is the molecular formula of FR 86521?
The molecular formula of FR 86521 is C19H24ClN9O6S2.
What is the molecular weight of FR 86521?
The molecular weight of FR 86521 is 573.09796 g/mol.
Where can I buy FR 86521?
You can request a quote for FR 86521 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for FR 86521?
Yes, CoreyChem provides custom synthesis services for FR 86521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.