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CAS 1141464-90-5 2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride molecular structure lightbox
CAS RN: 1141464-90-5

2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100mg In stock Shanghai Inquiry
Batchno.20260515 1g In stock Shanghai Inquiry
Batchno.20250407 250mg In stock Shanghai Inquiry
Batchno.20251126 5g In stock Shanghai Inquiry
  • Product code: SSC-014015
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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: 1g
  • 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 1141464-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1141464-90-5 / 2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azoniaspiro[4.5]dec-1-ene;chloride;hydrochloride

2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride | 2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro(4.5)dec-1-en-2-ium Hydrogen Dichloride | RefChem:452189

Standard CAS: 1141464-90-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1141464-90-5
Multi CAS
No
Molecular Formula
C23H37Cl2N
Molecular Weight
398.400000
Exact Mass
397.230306
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2=CC3(CCCCC3)CC2(C)C.Cl.[Cl-]
InChI
InChI=1S/C23H36N.2ClH/c1-17(2)19-11-10-12-20(18(3)4)21(19)24-16-23(15-22(24,5)6)13-8-7-9-14-23;;/h10-12,16-18H,7-9,13-15H2,1-6H3;2*1H/q+1;;/p-1
InChIKey
GNHPATZPJSGULD-UHFFFAOYSA-M
Synonyms
2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride 2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro(4.5)dec-1-en-2-ium Hydrogen Dichloride RefChem:452189 813-827-4 2-[2,6-Bis(1-methylethyl)phenyl]-3,3-dimethyl-2-azoniaspiro[4.5]dec-1-ene hydrogen dichloride

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
112.07
TPSA
3.01

LogP / Solubility

WLOGP
4.21
MLOGP
3.73
XLogP3
4.21
Consensus LogP
4.05
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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 (50%): 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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