CAS RN: 3846-71-7

UV-320

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Batchno.20250218 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
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  • Product code: starshine_CAS3846-71-7
  • Purity/Analytical Methods: >99.0%
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3846-71-7 / 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol

Standard CAS: 3846-71-7 Multi CAS: Yes

Basic Information

CAS
3846-71-7
Multi CAS
Yes
Molecular Formula
C20H25N3O
Molecular Weight
323.400000
Exact Mass
323.199762
InChI
InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
InChIKey
LHPPDQUVECZQSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.93
TPSA
50.94

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
7.3
Consensus LogP
5.4
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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