CAS RN: 617706-62-4
(Methanetetrayltetrakis(benzene-4,1-diyl))tetramethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINM914266
617706-62-4 / [4-[tris[4-(hydroxymethyl)phenyl]methyl]phenyl]methanol
Basic Information
CAS
617706-62-4
Multi CAS
No
Molecular Formula
C29H28O4
Molecular Weight
440.500000
Exact Mass
440.198759
InChI
InChI=1S/C29H28O4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16,30-33H,17-20H2
InChIKey
ZEXUVBASHXORMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
128.44
TPSA
80.92
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
3.4
Consensus LogP
3.67
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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