CAS RN: 23726-92-3
(Z)-beta-damascone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS23726-92-3
- Purity/Analytical Methods: >99.0%
23726-92-3 / 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Basic Information
CAS
23726-92-3
Multi CAS
No
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
SMILES
CC=CC(=O)C1=C(CCCC1(C)C)C
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3
InChIKey
BGTBFNDXYDYBEY-UHFFFAOYSA-N
Physical Properties
Density
0.934-0.942 (20°)
Physical Description
colourless to pale yellow liquid with a complex fruity floral odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.15
TPSA
17.07
LogP / Solubility
WLOGP
3.66
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.3
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
-
N-VINYLSUCCINIMIDE
- CAS RN: 2372-96-5
- Product Code: starshine_CAS2372-96-5
- Purity/Analytical method: >99.0%
-
METHYL FORMATE-D
- CAS RN: 23731-38-6
- Product Code: starshine_CAS23731-38-6
- Purity/Analytical method: >99.0%
-
-
sodium 1,4-bis(1,3-dimethylbutyl) sulphonatosuccinate
- CAS RN: 2373-38-8
- Product Code: starshine_CAS2373-38-8
- Purity/Analytical method: >99.0%
-
trans-Methylkhellactone
- CAS RN: 23733-92-8
- Product Code: starshine_CAS23733-92-8
- Purity/Analytical method: >99.0%
-
trans-3′-O-Benzoyl-4′-O-Methylkhellactone
- CAS RN: 23733-95-1
- Product Code: starshine_CAS23733-95-1
- Purity/Analytical method: >99.0%
