CAS RN: 2985-57-1
4-decylphenol
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.20260110 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2985-57-1
- Purity/Analytical Methods: >99.0%
2985-57-1 / 4-decylphenol
Basic Information
CAS
2985-57-1
Multi CAS
Yes
Molecular Formula
C16H26O
Molecular Weight
234.380000
Exact Mass
234.198365
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14,17H,2-10H2,1H3
InChIKey
CGTLMVREWQIWEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.42
TPSA
20.23
LogP / Solubility
WLOGP
5.08
MLOGP
4.47
XLogP3
6.4
Consensus LogP
5.32
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS2985-59-3
- Purity/Analytical method: >99.0%
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