CAS RN: 646-07-1
4-Methylvaleric Acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20251015 | 1g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250402 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20250319 | 500g | In stock | Shandong | Inquiry |
| Batchno.20250312 | 5g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: SSC-174314
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
646-07-1 / 4-methylpentanoic acid
Basic Information
CAS
646-07-1
Multi CAS
Yes
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
InChI
InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey
FGKJLKRYENPLQH-UHFFFAOYSA-N
Physical Properties
Melting Point
-33 °C
Boiling Point
199.00 to 201.00 °C. @ 760.00 mm Hg
Density
0.919-0.926
Physical Description
Clear light brown liquid;
Liquid
colourless to pale yellow liquid with a sour, penetrating odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.71
TPSA
37.3
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
tert-Butylacetic Acid
- CAS RN: 1070-83-3
- Product Code: ICTB0826
- Purity/Analytical method: >98.0%(GC)(T)
-
-
