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CAS 672926-26-0 Phenol, 4,4′,4”-ethylidynetris[2,6-bis(methoxymethyl)- molecular structure lightbox
CAS RN: 672926-26-0

Phenol, 4,4′,4”-ethylidynetris[2,6-bis(methoxymethyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS672926-26-0
  • Purity/Analytical Methods: >99.0%
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672926-26-0 / 4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2,6-bis(methoxymethyl)phenol

Standard CAS: 672926-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
672926-26-0
Multi CAS
Yes
Molecular Formula
C32H42O9
Molecular Weight
570.700000
Exact Mass
570.282883
InChI
InChI=1S/C32H42O9/c1-32(26-8-20(14-36-2)29(33)21(9-26)15-37-3,27-10-22(16-38-4)30(34)23(11-27)17-39-5)28-12-24(18-40-6)31(35)25(13-28)19-41-7/h8-13,33-35H,14-19H2,1-7H3
InChIKey
IIFLIWFOXRRHDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
3
Molar refractivity
154.15
TPSA
116.07

LogP / Solubility

WLOGP
5.04
MLOGP
4.48
XLogP3
2.7
Consensus LogP
4.07
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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