[email protected]
CAS 17978-75-5 ER(FOD)3 molecular structure lightbox
CAS RN: 17978-75-5

ER(FOD)3

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17978-75-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17978-75-5 / erbium;tris((Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one)

Standard CAS: 17978-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17978-75-5
Multi CAS
No
Molecular Formula
C30H33ErF21O6
Molecular Weight
1055.800000
Exact Mass
1054.124481
SMILES
CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O)(C)C.[Er]
InChI
InChI=1S/3C10H11F7O2.Er/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/b3*5-4-;
InChIKey
LEHFMLQRGJCLOZ-VNGPFPIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
153.37
TPSA
111.9

LogP / Solubility

WLOGP
11.63
MLOGP
10.34
XLogP3
11.63
Consensus LogP
11.2
Log S (ESOL)
-13.12
Class (ESOL)
Insoluble
Log S (Ali)
-16.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us