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CAS 147116-67-4 (2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine molecular structure lightbox
CAS RN: 147116-67-4

(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
Batchno.20250317 10mg In stock Shanghai Inquiry
Batchno.20260119 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260521 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250418 25g Out of stock Inquiry
Batchno.20250818 25mg In stock Shanghai Inquiry
Batchno.20250514 50mg In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai Inquiry
Batchno.20250917 5mg In stock Shanghai Inquiry
  • Product code: SSC-057935
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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: 5g
  • 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 147116-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

147116-67-4 / (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Standard CAS: 147116-67-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
147116-67-4
Multi CAS
No
Molecular Formula
C32H40N2O
Molecular Weight
468.700000
Exact Mass
468.314064
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1
InChIKey
OMPCVMLFFSQFIX-CONSDPRKSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
145.13
TPSA
24.5

LogP / Solubility

WLOGP
6.38
MLOGP
5.64
XLogP3
7
Consensus LogP
6.34
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P391, and P501

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