CAS RN: 1083216-37-8
Hexahydro-3-methyl-1H-azepin-3-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-009697
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1083216-37-8 / 3-methylazepan-3-ol
3-methylazepan-3-ol | MFCD32869285 | SCHEMBL14066206
Basic Information
CAS
1083216-37-8
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CC1(CCCCNC1)O
InChI
InChI=1S/C7H15NO/c1-7(9)4-2-3-5-8-6-7/h8-9H,2-6H2,1H3
InChIKey
PCLHMPWNWSQJIK-UHFFFAOYSA-N
Synonyms
3-methylazepan-3-ol
MFCD32869285
SCHEMBL14066206
PB39552
BS-43462
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.34
TPSA
32.26
LogP / Solubility
WLOGP
0.51
MLOGP
0.44
XLogP3
0.2
Consensus LogP
0.38
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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