CAS RN: 39686-51-6
1,5-Diphenylpentan-1-one
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.20250930 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS39686-51-6
- Purity/Analytical Methods: >99.0%
39686-51-6 / 1,5-diphenylpentan-1-one
Basic Information
CAS
39686-51-6
Multi CAS
Yes
Molecular Formula
C17H18O
Molecular Weight
238.320000
Exact Mass
238.135765
InChI
InChI=1S/C17H18O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2
InChIKey
DBLFABLNCUNXAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
74.77
TPSA
17.07
LogP / Solubility
WLOGP
4.28
MLOGP
3.77
XLogP3
4.4
Consensus LogP
4.15
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
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)
-1.13
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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