CAS RN: 110453-78-6
(S)-(+)-6-Methyl-1-octanol
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.20250714 | 1ml | In stock | Shanghai | Inquiry |
- Product code: SSC-011522
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: ≥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 |
|---|---|---|---|---|
| 1ml | ≥97% | 0 Out of Stock | Beijing | Inquiry |
110453-78-6 / (6S)-6-methyloctan-1-ol
6-Methyloctan-1-ol | EINECS 253-977-2 | DTXSID10959373
Basic Information
CAS
110453-78-6
Multi CAS
Yes
Molecular Formula
C9H20O
Molecular Weight
144.250000
Exact Mass
144.151415
SMILES
CC[C@H](C)CCCCCO
InChI
InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKey
WWRGKAMABZHMCN-VIFPVBQESA-N
Synonyms
6-Methyloctan-1-ol
EINECS 253-977-2
DTXSID10959373
RefChem:105045
DTXCID50939472
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.01
TPSA
20.23
LogP / Solubility
WLOGP
2.59
MLOGP
2.27
XLogP3
3.2
Consensus LogP
2.69
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
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)
-1.76
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
