CAS RN: 136705-66-3
(3S,6S)-3,6-OCTANEDIOL
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250928 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250810 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260214 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260626 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250218 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260114 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250327 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-045728
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
136705-66-3 / (3S,6S)-octane-3,6-diol
Basic Information
CAS
136705-66-3
Multi CAS
No
Molecular Formula
C8H18O2
Molecular Weight
146.230000
Exact Mass
146.130680
SMILES
CC[C@@H](CC[C@H](CC)O)O
InChI
InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
BCKOQWWRTRBSGR-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.83
TPSA
40.46
LogP / Solubility
WLOGP
1.31
MLOGP
1.14
XLogP3
1.5
Consensus LogP
1.32
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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