beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)
TL;DR: beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) (CAS 98054-93-4) is a chemical compound with molecular formula C23H20ClFN2O8 and molecular weight 506.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate), 1-O-{[4-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]acetyl}hexopyranuronic acid, (2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-{[4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]acetyl}-beta-D-glucopyranuronic acid
| Molecular Formula | C23H20ClFN2O8 |
|---|---|
| Molecular Weight | 506.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.08923 |
| Heavy Atoms | 35 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 98054-93-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN(N=C2CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)F)Cl |
| InChIKey | MNYJANXLCZJPKF-KHYDEXNFSA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) (CAS 98054-93-4), with molecular formula C23H20ClFN2O8 and molecular weight 506.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)
Property Insights of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate). The TPSA of 151.0 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) has 4 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 beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)?
The CAS number of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) is 98054-93-4.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) is C23H20ClFN2O8.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) is 506.09 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.