CAS RN: 45019-28-1
4-Methylnonanoic Acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260216 | 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260423 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260422 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251212 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-152892
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
45019-28-1 / 4-methylnonanoic acid
Basic Information
CAS
45019-28-1
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey
WQTZCQIRCYSUBQ-UHFFFAOYSA-N
Physical Properties
Boiling Point
292.00 to 293.00 °C. @ 760.00 mm Hg
Density
0.900-0.909 (20°/20°)
Physical Description
colourless to pale yellow liquid with a costus, animal odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.18
TPSA
37.3
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.6
Consensus LogP
3.12
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.59
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
