Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥99%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥99% | 0 Out of Stock | Beijing | Inquiry |
3087-39-6 / tetrakis(2-methylpropan-2-olate);titanium(4+)
Basic Information
CAS
3087-39-6
Multi CAS
Yes
Molecular Formula
C16H36O4Ti
Molecular Weight
340.320000
Exact Mass
340.209300
InChI
InChI=1S/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
InChIKey
GRWPYGBKJYICOO-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
Colorless liquid with a sweet odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
79.01
TPSA
92.24
LogP / Solubility
WLOGP
0.58
MLOGP
0.53
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
VACCINIUM MYRTILLUS FRUIT/LEAF EXTRACT
- CAS RN: 84082-34-8
- Product Code: BeautyPersonalHomeCare-15274
-
-
-
