1',6,6'-Trichlorosucrose
TL;DR: 1',6,6'-Trichlorosucrose (CAS 40631-75-2) is a chemical compound with molecular formula C12H19Cl3O8 and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol
Also Known As: 1',6,6'-Trichlorosucrose, 1',6,6'-Trichloro Sucrose, 1',6,6'-Trichloro Sucrose, 2-[2,5-bis(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol, 2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol
| Molecular Formula | C12H19Cl3O8 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.01456 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 40631-75-2 |
|---|---|
| SMILES | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)O)Cl |
| InChIKey | BPQOIESVQZIMHQ-UHFFFAOYSA-N |
Product Overview
1',6,6'-Trichlorosucrose (CAS 40631-75-2), with molecular formula C12H19Cl3O8 and molecular weight 396.01 g/mol. IUPAC: 2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol.
Chemical Property Profile of 1',6,6'-Trichlorosucrose
Property Insights of 1',6,6'-Trichlorosucrose
The XLogP value of -1.5 indicates that 1',6,6'-Trichlorosucrose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',6,6'-Trichlorosucrose. Following Lipinski's Rule of Five, 1',6,6'-Trichlorosucrose has 5 hydrogen bond donor(s) and 8 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 1',6,6'-Trichlorosucrose?
The CAS number of 1',6,6'-Trichlorosucrose is 40631-75-2.
What is the molecular formula of 1',6,6'-Trichlorosucrose?
The molecular formula of 1',6,6'-Trichlorosucrose is C12H19Cl3O8.
What is the molecular weight of 1',6,6'-Trichlorosucrose?
The molecular weight of 1',6,6'-Trichlorosucrose is 396.01 g/mol.
Where can I buy 1',6,6'-Trichlorosucrose?
You can request a quote for 1',6,6'-Trichlorosucrose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',6,6'-Trichlorosucrose?
Yes, KEHONG BIO provides custom synthesis services for 1',6,6'-Trichlorosucrose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.