FR-86521 free base
TL;DR: FR-86521 free base (CAS 157436-91-4) is a chemical compound with molecular formula C19H23N9O6S2 and molecular weight 537.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
Also Known As: FR-86521 free base, 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-, (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-, (6R-(6.ALPHA.,7.BETA.(Z)))-
| Molecular Formula | C19H23N9O6S2 |
|---|---|
| Molecular Weight | 537.12 g/mol |
| LogP | -1.62553 |
| Topological Polar Surface Area | 214.04 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 537.1213 |
| Heavy Atoms | 36 |
| Complexity | 1312.4708 |
Chemical Identifiers
| CAS Number | 157436-91-4 |
|---|---|
| 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 |
Product Overview
FR-86521 free base (CAS 157436-91-4), with molecular formula C19H23N9O6S2 and molecular weight 537.12 g/mol. IUPAC: (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.
Chemical Property Profile of FR-86521 free base
Property Insights of FR-86521 free base
The XLogP value of -1.62553 indicates that FR-86521 free base is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.04 Ų indicates high polarity, suggesting FR-86521 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR-86521 free base has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR-86521 free base?
The CAS number of FR-86521 free base is 157436-91-4.
What is the molecular formula of FR-86521 free base?
The molecular formula of FR-86521 free base is C19H23N9O6S2.
What is the molecular weight of FR-86521 free base?
The molecular weight of FR-86521 free base is 537.12 g/mol.
Where can I buy FR-86521 free base?
You can request a quote for FR-86521 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR-86521 free base?
Yes, KEHONG BIO provides custom synthesis services for FR-86521 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.