CAS RN: 432027-96-8
4-Pentyn-1-ol, 2-(2-propyn-1-yl)-
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.20250905 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS432027-96-8
- Purity/Analytical Methods: >99.0%
432027-96-8 / 2-prop-2-ynylpent-4-yn-1-ol
Basic Information
CAS
432027-96-8
Multi CAS
No
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
InChI
InChI=1S/C8H10O/c1-3-5-8(7-9)6-4-2/h1-2,8-9H,5-7H2
InChIKey
QCQDXFLZGCVLTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.48
TPSA
20.23
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
1
Consensus LogP
0.73
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.01
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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