CAS RN: 895155-95-0
UR-144 N-(5-Hydroxypentyl)
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.20251105 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS895155-95-0
- Purity/Analytical Methods: >99.0%
895155-95-0 / [1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Basic Information
CAS
895155-95-0
Multi CAS
No
Molecular Formula
C21H29NO2
Molecular Weight
327.500000
Exact Mass
327.219829
InChI
InChI=1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3
InChIKey
AFWBYMXUEMOBRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.26
TPSA
42.23
LogP / Solubility
WLOGP
4.67
MLOGP
4.12
XLogP3
4.1
Consensus LogP
4.3
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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