CAS RN: 71972-34-4
E-Dec-5-ene-2,9-dione
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.20260131 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS71972-34-4
- Purity/Analytical Methods: >99.0%
71972-34-4 / (E)-dec-5-ene-2,9-dione
Basic Information
CAS
71972-34-4
Multi CAS
Yes
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-4H,5-8H2,1-2H3/b4-3+
InChIKey
DKZLZTWKWHDCAM-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
48.97
TPSA
34.14
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
0.8
Consensus LogP
1.69
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.13
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
-
SUBSTANCE P
- CAS RN: 71977-09-8
- Product Code: starshine_CAS71977-09-8
- Purity/Analytical method: >99.0%
-
-
5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID
- CAS RN: 71982-15-5
- Product Code: SSC-181491
-
-
1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
- CAS RN: 71985-80-3
- Product Code: SSC-181493
-
