4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose
TL;DR: 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose (CAS 53684-69-8) is a chemical compound with molecular formula C12H18Cl4O7 and molecular weight 413.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R,6R)-5-chloro-2-[(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)-3,4-dihydroxyoxan-2-yl]oxy-6-(chloromethyl)oxane-3,4-diol
Also Known As: 4,4',6,6'-Tctd-galacto-trehalose, 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose, J1.725.082E, 4,6-Dichloro-4,6-dideoxy-alpha-D-galactopyranosyl 4,6-dichloro-4,6-dideoxy-alpha-D-galactopyranoside, (2R,3R,4R,5R,6R)-5-chloro-2-[(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)-3,4-dihydroxyoxan-2-yl]oxy-6-(chloromethyl)oxane-3,4-diol
| Molecular Formula | C12H18Cl4O7 |
|---|---|
| Molecular Weight | 413.98 g/mol |
| LogP | -0.4112 |
| Topological Polar Surface Area | 108.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.98065 |
| Heavy Atoms | 23 |
| Complexity | 354.42072 |
Chemical Identifiers
| CAS Number | 53684-69-8 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CCl)Cl)O)O)O)O)Cl)Cl |
Product Overview
4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose (CAS 53684-69-8), with molecular formula C12H18Cl4O7 and molecular weight 413.98 g/mol. IUPAC: (2R,3R,4R,5R,6R)-5-chloro-2-[(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)-3,4-dihydroxyoxan-2-yl]oxy-6-(chloromethyl)oxane-3,4-diol.
Chemical Property Profile of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose
Property Insights of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose
The XLogP value of -0.4112 indicates that 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose. Following Lipinski's Rule of Five, 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose 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 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose?
The CAS number of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose is 53684-69-8.
What is the molecular formula of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose?
The molecular formula of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose is C12H18Cl4O7.
What is the molecular weight of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose?
The molecular weight of 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose is 413.98 g/mol.
Where can I buy 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose?
You can request a quote for 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose?
Yes, KEHONG BIO provides custom synthesis services for 4,4',6,6'-Tetrachloro-4,4',6,6'-tetradeoxygalactotrehalose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.