[email protected]
CAS 53293-32-6 DICHLOROBIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)TITANIUM(IV) molecular structure lightbox
CAS RN: 53293-32-6

DICHLOROBIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)TITANIUM(IV)

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260610 1g In stock Inquiry
Batchno.20260427 250mg Out of stock Inquiry
Batchno.20260209 5g In stock Inquiry
  • Product code: starshine_CAS53293-32-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

53293-32-6 / bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);titanium(4+);dichloride

Standard CAS: 53293-32-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53293-32-6
Multi CAS
Yes
Molecular Formula
C22H38CL2O4TI
Molecular Weight
485.300000
Exact Mass
484.162656
InChI
InChI=1S/2C11H20O2.2ClH.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;2*1H;/q;;;;+2/p-2/b2*8-7+;;;
InChIKey
LRDNVKNHGUIQEV-FTHVFMQUSA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
104
TPSA
80.26

LogP / Solubility

WLOGP
-2.21
MLOGP
-1.91
XLogP3
-2.21
Consensus LogP
-2.11
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us