CAS RN: 3846-71-7
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Product Availability
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3 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20250218 |
25g / 100g / 500g / 2.5kg |
Confirm by inquiry |
Shanghai, Shandong, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20260228 |
25g |
Out of stock |
| Inquiry |
| Batchno.20250830 |
5g |
Out of stock |
| Inquiry |
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Product code:
starshine_CAS3846-71-7
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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