CAS RN: 1416713-98-8
5-tert-butyl-2′,3′,5′,6′-tetramethylbiphenyl-2-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-052203
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1416713-98-8 / 4-tert-butyl-2-(2,3,5,6-tetramethylphenyl)phenol
Basic Information
CAS
1416713-98-8
Multi CAS
No
Molecular Formula
C20H26O
Molecular Weight
282.400000
Exact Mass
282.198365
SMILES
CC1=CC(=C(C(=C1C)C2=C(C=CC(=C2)C(C)(C)C)O)C)C
InChI
InChI=1S/C20H26O/c1-12-10-13(2)15(4)19(14(12)3)17-11-16(20(5,6)7)8-9-18(17)21/h8-11,21H,1-7H3
InChIKey
KPKXORAIZLGJKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.19
TPSA
20.23
LogP / Solubility
WLOGP
5.59
MLOGP
4.93
XLogP3
6.3
Consensus LogP
5.61
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
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
No
Log Kp (skin permeation)
-0.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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