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CAS RN: 19396-73-7
1-PHENYL-1-OCTANOL
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.20251109 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19396-73-7
- Purity/Analytical Methods: >99.0%
19396-73-7 / 1-phenyloctan-1-ol
Basic Information
CAS
19396-73-7
Multi CAS
No
Molecular Formula
C14H22O
Molecular Weight
206.320000
Exact Mass
206.167065
SMILES
CCCCCCCC(C1=CC=CC=C1)O
InChI
InChI=1S/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3
InChIKey
MNBCPXKENXMEEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.78
TPSA
20.23
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
4.5
Consensus LogP
4.06
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
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)
-1.08
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
2
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