CAS RN: 6137-09-3
3-Ethyl-2-heptanone
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.20260514 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6137-09-3
- Purity/Analytical Methods: >99.0%
6137-09-3 / 3-ethylheptan-2-one
Basic Information
CAS
6137-09-3
Multi CAS
Yes
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
InChI
InChI=1S/C9H18O/c1-4-6-7-9(5-2)8(3)10/h9H,4-7H2,1-3H3
InChIKey
PPKSOKLRYCVQPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
43.99
TPSA
17.07
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
N,N-diMethylthiazol-2-aMine
- CAS RN: 6142-08-1
- Product Code: starshine_CAS6142-08-1
- Purity/Analytical method: >99.0%
-
-
1-(Dimethylamino)-4,4-dimethylpent-1-en-3-one
- CAS RN: 6135-14-4
- Product Code: starshine_CAS6135-14-4
- Purity/Analytical method: >99.0%
-
