CAS RN: 685859-01-2
1-Methyl-1,4-diazepan-2-one hydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-178315
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 | Shanghai | Inquiry |
685859-01-2 / 1-methyl-1,4-diazepan-2-one;hydrochloride
Basic Information
CAS
685859-01-2
Multi CAS
Yes
Molecular Formula
C6H13CLN2O
Molecular Weight
164.630000
Exact Mass
164.071641
InChI
InChI=1S/C6H12N2O.ClH/c1-8-4-2-3-7-5-6(8)9;/h7H,2-5H2,1H3;1H
InChIKey
FTNDDOQJRISISV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.37
TPSA
32.34
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.14
Consensus LogP
-0.14
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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