FR-20950 cation
TL;DR: FR-20950 cation (CAS 737733-54-9) is a chemical compound with molecular formula C20H29N4O4S+ and molecular weight 421.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: FR-20950 cation, 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, 1H-Imidazolium, 3-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-1-methyl-
| Molecular Formula | C20H29N4O4S+ |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 0.3201 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.19095 |
| Heavy Atoms | 29 |
| Complexity | 851.2892 |
Chemical Identifiers
| CAS Number | 737733-54-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CCN4C=C[N+](=C4)C)C(=O)O)[C@@H](C)O |
Product Overview
FR-20950 cation (CAS 737733-54-9), with molecular formula C20H29N4O4S+ and molecular weight 421.19 g/mol. IUPAC: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of FR-20950 cation
Property Insights of FR-20950 cation
The XLogP value of 0.3201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR-20950 cation. The TPSA of 98.68 Ų falls within the moderate polarity range, balancing permeability and solubility for FR-20950 cation. Following Lipinski's Rule of Five, FR-20950 cation has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR-20950 cation?
The CAS number of FR-20950 cation is 737733-54-9.
What is the molecular formula of FR-20950 cation?
The molecular formula of FR-20950 cation is C20H29N4O4S+.
What is the molecular weight of FR-20950 cation?
The molecular weight of FR-20950 cation is 421.19 g/mol.
Where can I buy FR-20950 cation?
You can request a quote for FR-20950 cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR-20950 cation?
Yes, KEHONG BIO provides custom synthesis services for FR-20950 cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.