Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate
TL;DR: Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate (CAS 83354-96-5) is a chemical compound with molecular formula C18H16Cl2O6 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
Also Known As: C18H16Cl2O6.1/2H2O, 4-(2,4-dichlorobenzoyl)phenyl beta-D-xylopyranoside, C18-H16-Cl2-O6.1/2H2-O, Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate, (2,4-Dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hemihydrate
| Molecular Formula | C18H16Cl2O6 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 2.0422 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.03238 |
| Heavy Atoms | 26 |
| Complexity | 794.7684 |
Chemical Identifiers
| CAS Number | 83354-96-5 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl)O)O)O |
Product Overview
Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate (CAS 83354-96-5), with molecular formula C18H16Cl2O6 and molecular weight 398.03 g/mol. IUPAC: (2,4-dichlorophenyl)-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone.
Chemical Property Profile of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate
Property Insights of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate
The XLogP value of 2.0422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate. Following Lipinski's Rule of Five, Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate has 3 hydrogen bond donor(s) and 6 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, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate?
The CAS number of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate is 83354-96-5.
What is the molecular formula of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate?
The molecular formula of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate is C18H16Cl2O6.
What is the molecular weight of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate?
The molecular weight of Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate is 398.03 g/mol.
Where can I buy Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate?
You can request a quote for Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)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, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (2,4-dichlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.