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CAS 1194-43-0 hydrochloride molecular structure lightbox
CAS RN: 1194-43-0

hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 100mg In stock Shanghai Inquiry
Batchno.20260204 1g In stock Shanghai Inquiry
Batchno.20250304 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250323 50mg In stock Shanghai Inquiry
  • Product code: SSC-019938
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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: ＞97%
  • 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 1194-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1194-43-0 / 4-methylbicyclo[2.2.2]octan-1-amine;hydrochloride

4-Methylbicyclo[2.2.2]octan-1-amine hydrochloride | 1-methylbicyclo[2.2.2]octan-4-amine;hydrochloride | 4-methylbicyclo[2.2.2]octan-1-amine;hydrochloride

Standard CAS: 1194-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1194-43-0
Multi CAS
No
Molecular Formula
C9H18ClN
Molecular Weight
175.700000
Exact Mass
175.112777
SMILES
CC12CCC(CC1)(CC2)N.Cl
InChI
InChI=1S/C9H17N.ClH/c1-8-2-5-9(10,6-3-8)7-4-8;/h2-7,10H2,1H3;1H
InChIKey
SKSSVJOWZLOZIV-UHFFFAOYSA-N
Synonyms
4-Methylbicyclo[2.2.2]octan-1-amine hydrochloride 1-methylbicyclo[2.2.2]octan-4-amine;hydrochloride 4-methylbicyclo[2.2.2]octan-1-amine;hydrochloride MFCD28014943 SCHEMBL10409914

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.98
TPSA
26.02

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.48
Consensus LogP
2.38
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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