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CAS 1203681-81-5 6-Methyl-2,6-diaza-spiro[3.4]octan-5-one hydrochloride molecular structure lightbox
CAS RN: 1203681-81-5

6-Methyl-2,6-diaza-spiro[3.4]octan-5-one hydrochloride

  • Product code: SSC-021268
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1203681-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1203681-81-5 / 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride

6-methyl-2,6-diazaspiro[3.4]octan-5-one hydrochloride | 6-Methyl-2,6-diaza-spiro[3.4]octan-5-one hydrochloride | MFCD11053742

Standard CAS: 1203681-81-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203681-81-5
Multi CAS
No
Molecular Formula
C7H13ClN2O
Molecular Weight
176.640000
Exact Mass
176.071641
SMILES
CN1CCC2(C1=O)CNC2.Cl
InChI
InChI=1S/C7H12N2O.ClH/c1-9-3-2-7(6(9)10)4-8-5-7;/h8H,2-5H2,1H3;1H
InChIKey
XVFQVIKIWDOSNA-UHFFFAOYSA-N
Synonyms
6-methyl-2,6-diazaspiro[3.4]octan-5-one hydrochloride 6-Methyl-2,6-diaza-spiro[3.4]octan-5-one hydrochloride MFCD11053742 DYB68181 AKOS006306868

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.8
TPSA
32.34

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.14
Consensus LogP
-0.14
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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