Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside
TL;DR: Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside (CAS 58622-61-0) is a chemical compound with molecular formula C12H15ClO5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-2-(chloromethyl)-6-phenoxyoxane-3,4,5-triol
Also Known As: Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside, 3-chloro-4-hydroxybenzeneacetonitrile, phenyl6-chloro-6-deoxy-beta-D-glucopyranoside, beta-D-Glucopyranoside, phenyl 6-chloro-6-deoxy-, .beta.-D-Glucopyranoside, phenyl 6-chloro-6-deoxy-
| Molecular Formula | C12H15ClO5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0608 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 58622-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CCl)O)O)O |
| InChIKey | BRJPYYRBSYQLEC-RMPHRYRLSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside (CAS 58622-61-0), with molecular formula C12H15ClO5 and molecular weight 274.06 g/mol. IUPAC: (2S,3S,4S,5R,6S)-2-(chloromethyl)-6-phenoxyoxane-3,4,5-triol.
Chemical Property Profile of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside
Property Insights of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside
The XLogP value of -0.2 indicates that Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside. Following Lipinski's Rule of Five, Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside 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 Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside?
The CAS number of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside is 58622-61-0.
What is the molecular formula of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside?
The molecular formula of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside is C12H15ClO5.
What is the molecular weight of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside?
The molecular weight of Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside is 274.06 g/mol.
Where can I buy Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside?
You can request a quote for Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 6-chloro-6-deoxy-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.