CAS RN: 63885-09-6
6-Methylheptanal
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.20251216 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63885-09-6
- Purity/Analytical Methods: >99.0%
63885-09-6 / 2-methylheptanal
Basic Information
CAS
63885-09-6
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3
InChIKey
LCEHKIHBHIJPCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
39.37
TPSA
17.07
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-1.8
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
2
Customers Also Viewed
-
-
4-(2-chlorothieno[2,3-d]pyriMidin-4-yl)Morpholine
- CAS RN: 63894-67-7
- Product Code: starshine_CAS63894-67-7
- Purity/Analytical method: >99.0%
-
1-Methyl-2-(methylthio)-1,4,5,6-tetrahydropyrimidine
- CAS RN: 63896-08-2
- Product Code: SSC-173678
-
-
-
(E)-1-Ethyl-2-((1-ethylquinolin-2(1H)-ylide ne)methyl)quinolin-1-ium iodide
- CAS RN: 63902-24-9
- Product Code: SSC-173689
![CAS 63894-67-7 4-(2-chlorothieno[2,3-d]pyriMidin-4-yl)Morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63894-67-7.gif)
