CAS RN: 42072-39-9
(S)-(+)-3-Methyl-1-pentanol
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.20250223 | 1ml | In stock | Shandong | Inquiry |
- Product code: SSC-150390
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: 1ml
- Available purity: ＞95%
- 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 |
|---|---|---|---|---|
| 1ml | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
42072-39-9 / 3-methylpentan-1-ol
Basic Information
CAS
42072-39-9
Multi CAS
Yes
Molecular Formula
C6H14O
Molecular Weight
102.170000
Exact Mass
102.104465
InChI
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey
IWTBVKIGCDZRPL-UHFFFAOYSA-N
Physical Properties
Boiling Point
151.00 to 152.00 °C. @ 760.00 mm Hg
Density
0.823
Physical Description
colourless liquid with a pungent wine-like, cocoa odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.16
TPSA
20.23
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1.8
Consensus LogP
1.48
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
