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CAS 799-25-7 Phenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 799-25-7

Phenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS799-25-7
  • Purity/Analytical Methods: >99.0%
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799-25-7 / 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol

Standard CAS: 799-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
799-25-7
Multi CAS
No
Molecular Formula
C19H33NO3
Molecular Weight
323.500000
Exact Mass
323.246044
InChI
InChI=1S/C19H33NO3/c1-18(2,3)15-11-14(13-20(7-9-21)8-10-22)12-16(17(15)23)19(4,5)6/h11-12,21-23H,7-10,13H2,1-6H3
InChIKey
WUXCIWVRVOPALZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.96
TPSA
63.93

LogP / Solubility

WLOGP
2.77
MLOGP
2.46
XLogP3
3.4
Consensus LogP
2.88
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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