4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside
TL;DR: 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside (CAS 308280-77-5) is a chemical compound with molecular formula C12H14ClIO5 and molecular weight 399.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6S)-2-(4-chlorophenoxy)-6-(iodomethyl)oxane-3,4,5-triol
Also Known As: 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside, (2S,3R,4S,5S,6S)-2-(4-chlorophenoxy)-6-(iodomethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6S)-2-(4-chlorophenoxy)-6-(iodomethyl)tetrahydro-2H-pyran-3,4,5-triol
| Molecular Formula | C12H14ClIO5 |
|---|---|
| Molecular Weight | 399.96 g/mol |
| LogP | 0.9614 |
| Topological Polar Surface Area | 79.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.95746 |
| Heavy Atoms | 19 |
| Complexity | 413.0857 |
Chemical Identifiers
| CAS Number | 308280-77-5 |
|---|---|
| SMILES | C1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CI)O)O)O)Cl |
Product Overview
4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside (CAS 308280-77-5), with molecular formula C12H14ClIO5 and molecular weight 399.96 g/mol. IUPAC: (2S,3R,4S,5S,6S)-2-(4-chlorophenoxy)-6-(iodomethyl)oxane-3,4,5-triol.
Chemical Property Profile of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside
Property Insights of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside
The XLogP value of 0.9614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside. The TPSA of 79.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside. Following Lipinski's Rule of Five, 4-chlorophenyl 6-deoxy-6-iodo-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 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside?
The CAS number of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside is 308280-77-5.
What is the molecular formula of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside?
The molecular formula of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside is C12H14ClIO5.
What is the molecular weight of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside?
The molecular weight of 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside is 399.96 g/mol.
Where can I buy 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside?
You can request a quote for 4-chlorophenyl 6-deoxy-6-iodo-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 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorophenyl 6-deoxy-6-iodo-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.