CAS RN: 80151-28-6
3-(4-FLUORO-PHENYL)-PROP-2-YN-1-OL
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.20260630 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80151-28-6
- Purity/Analytical Methods: >99.0%
80151-28-6 / 3-(4-fluorophenyl)prop-2-yn-1-ol
Basic Information
CAS
80151-28-6
Multi CAS
No
Molecular Formula
C9FH7O
Molecular Weight
150.150000
Exact Mass
150.048093
InChI
InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
InChIKey
ZROXSIPANMVWHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.36
TPSA
20.23
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
1.5
Consensus LogP
1.23
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
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
Customers Also Viewed
-
-
Methyl demethoxycarbonylchafruticosinate
- CAS RN: 80151-89-9
- Product Code: starshine_CAS80151-89-9
- Purity/Analytical method: >99.0%
-
(2S)-2-(3-methylbutanoylamino)pentanedioic acid
- CAS RN: 80154-63-8
- Product Code: starshine_CAS80154-63-8
- Purity/Analytical method: >99.0%
-
1,2-PROPANEDIOL-D8
- CAS RN: 80156-55-4
- Product Code: starshine_CAS80156-55-4
- Purity/Analytical method: >99.0%
-
-
