Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate
TL;DR: Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate (CAS 83355-63-9) is a chemical compound with molecular formula C19H19ClO7 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
Also Known As: C19H19ClO7.1/2H2O, 4-(4-chlorobenzoyl)phenyl beta-D-glucopyranoside, Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate, C19-H19-Cl-O7.1/2H2-O, (4-Chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)methanone hemihydrate
| Molecular Formula | C19H19ClO7 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 0.7497 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08194 |
| Heavy Atoms | 27 |
| Complexity | 775.6501 |
Chemical Identifiers
| CAS Number | 83355-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate (CAS 83355-63-9), with molecular formula C19H19ClO7 and molecular weight 394.08 g/mol. IUPAC: (4-chlorophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone.
Chemical Property Profile of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate
Property Insights of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate
The XLogP value of 0.7497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate. Following Lipinski's Rule of Five, Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate has 4 hydrogen bond donor(s) and 7 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 Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate?
The CAS number of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate is 83355-63-9.
What is the molecular formula of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate?
The molecular formula of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate is C19H19ClO7.
What is the molecular weight of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate?
The molecular weight of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate is 394.08 g/mol.
Where can I buy Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate?
You can request a quote for Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.