CAS RN: 34874-54-9
4-(4-BIPHENYLYL)BUTANOL
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.20260404 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS34874-54-9
- Purity/Analytical Methods: >99.0%
34874-54-9 / 4-(4-phenylphenyl)butan-1-ol
Basic Information
CAS
34874-54-9
Multi CAS
No
Molecular Formula
C16H18O
Molecular Weight
226.310000
Exact Mass
226.135765
InChI
InChI=1S/C16H18O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h1-3,7-12,17H,4-6,13H2
InChIKey
RHLVAWHROJGHTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.9
TPSA
20.23
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
4
Consensus LogP
3.63
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
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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