CAS RN: 64034-02-2
2,4-Heptadecadiynoic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250120 | 100mg | Out of stock | Inquiry |
- Product code: ICTH0667
- Purity/Analytical Methods: >98.0%(T)
64034-02-2 / heptadeca-2,4-diynoic acid
Basic Information
CAS
64034-02-2
Multi CAS
No
Molecular Formula
C17H26O2
Molecular Weight
262.400000
Exact Mass
262.193280
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-12H2,1H3,(H,18,19)
InChIKey
JMRNAAJGQAFZRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.65
TPSA
37.3
LogP / Solubility
WLOGP
4.39
MLOGP
3.87
XLogP3
7
Consensus LogP
5.09
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
