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Chemical structure of SAHA chloroalkane T1

GC34772

SAHA chloroalkane T1

Also known as 2-[2-[2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoyloxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate

SAHA chloroalkane T1 is a chloroalkane capture tag by tethering Vorinostat (SAHA) and a chloroalkane tag T1

ChemicalCAS1613617-05-2MW719.26FormulaC33H55ClN4O11
CAS number
1613617-05-2
Molecular weight
719.26
Formula
C33H55ClN4O11
Solubility
DMSO ： 125 mg/mL (173·79 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
QJTGTGYXESVKJU-UHFFFAOYSA-N
Catalogue number
GC34772
Brand
GLPBIO
Computed properties PubChem CID 86274259 · XLogP 2.3 · TPSA 192 Ų · H-bond donors 5
XLogP
2.3
TPSA
192 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
33
Heavy atoms
49

SMILES C1=CC(=CC=C1CNC(=O)OCCOCCOCCOC(=O)NCCOCCOCCCCCCCl)NC(=O)CCCCCCC(=O)NO

Computed descriptors from PubChem (CID 86274259), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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