CAS RN: 1767-46-0
(S)-(+)-4-Methyl-1-hexanol
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.20251024 | 1ml | In stock | Hebei | Inquiry |
- Product code: SSC-077336
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: 0
- 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 | 0 | 0 Out of Stock | Beijing | Inquiry |
1767-46-0 / (4S)-4-methylhexan-1-ol
Basic Information
CAS
1767-46-0
Multi CAS
No
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
SMILES
CC[C@H](C)CCCO
InChI
InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
YNPVNLWKVZZBTM-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.77
TPSA
20.23
LogP / Solubility
WLOGP
1.81
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
