CAS RN: 74514-59-3
4-METHYL-2-OCTYN-4-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.20250331 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74514-59-3
- Purity/Analytical Methods: >99.0%
74514-59-3 / 4-methyloct-2-yn-4-ol
Basic Information
CAS
74514-59-3
Multi CAS
No
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
InChI
InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h10H,4,6,8H2,1-3H3
InChIKey
HWVNLGPDLREHJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.6
TPSA
20.23
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.19
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
Customers Also Viewed
-
-
-
2-Thiazolecarboxaldehyde, 4,5-dimethyl- (6CI, 9CI)
- CAS RN: 74531-15-0
- Product Code: SSC-183988
-
-
-
BenzenepropanaMide, 4-Methyl-
- CAS RN: 74533-76-9
- Product Code: starshine_CAS74533-76-9
- Purity/Analytical method: >99.0%
