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CAS 69257-04-1 N-Benzylcinchonidinium Chloride [Chiral Phase-Transfer Catalyst] molecular structure lightbox
CAS RN: 69257-04-1

N-Benzylcinchonidinium Chloride [Chiral Phase-Transfer Catalyst]

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 10g In stock Inquiry
Batchno.20250517 1g In stock Inquiry
Batchno.20260420 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 100g In stock Shanghai Inquiry
Batchno.20260301 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250701 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250203 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250924 500g In stock Shanghai Inquiry
Batchno.20250717 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-178879
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 69257-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

69257-04-1 / (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol chloride

Standard CAS: 69257-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69257-04-1
Multi CAS
Yes
Molecular Formula
C26H29CLN2O
Molecular Weight
421.000000
Exact Mass
420.196841
InChI
InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1
InChIKey
FCHYSBWCOKEPNQ-IOPLZPHGSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
117.04
TPSA
33.12

LogP / Solubility

WLOGP
1.88
MLOGP
1.68
XLogP3
1.88
Consensus LogP
1.81
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95

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
8.5

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