CAS RN: 876661-00-6
MIL-101(Cr)FFree
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS876661-00-6
- Purity/Analytical Methods: >99.0%
876661-00-6 / dioxidanium;tris(chromium(3+));oxygen(2-);terephthalate;hydroxide
Basic Information
CAS
876661-00-6
Multi CAS
Yes
Molecular Formula
C24H19CR3O16+2
Molecular Weight
719.400000
Exact Mass
718.888824
InChI
InChI=1S/3C8H6O4.3Cr.3H2O.O/c3*9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;;;/h3*1-4H,(H,9,10)(H,11,12);;;;3*1H2;/q;;;3*+3;;;;-2/p-5
InChIKey
UALWHFIFJCQBLB-UHFFFAOYSA-I
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
3
Molar refractivity
117.67
TPSA
365.28
LogP / Solubility
WLOGP
-6.91
MLOGP
-6.02
XLogP3
-6.91
Consensus LogP
-6.61
Log S (ESOL)
0.14
Class (ESOL)
Highly soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly 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)
-12.01
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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