CAS RN: 65937-49-7
HEXADIENOIC ACID ISOBUTYLAMIDE, 2,4-(P) (AHP Verified)
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.20251215 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65937-49-7
- Purity/Analytical Methods: >99.0%
65937-49-7 / (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
Basic Information
CAS
65937-49-7
Multi CAS
Yes
Molecular Formula
C10H17NO
Molecular Weight
167.250000
Exact Mass
167.131014
InChI
InChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)
InChIKey
DHXYPSWRPDLKGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.8
TPSA
29.1
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.4
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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- CAS RN: 65939-59-5
- Product Code: starshine_CAS65939-59-5
- Purity/Analytical method: >99.0%
