CAS RN: 25085-50-1
ALKYLPHENOL DISULFIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS25085-50-1
- Purity/Analytical Methods: >99.0%
25085-50-1 / 4-tert-butylphenol;formaldehyde
Basic Information
CAS
25085-50-1
Multi CAS
No
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
SMILES
CC(C)(C)C1=CC=C(C=C1)O.C=O
InChI
InChI=1S/C10H14O.CH2O/c1-10(2,3)8-4-6-9(11)7-5-8;1-2/h4-7,11H,1-3H3;1H2
InChIKey
LZDOYVMSNJBLIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.93
TPSA
37.3
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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