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CAS 122560-63-8 AMBERLITE IRA-400 molecular structure lightbox
CAS RN: 122560-63-8

AMBERLITE IRA-400

  • Product code: SSC-025561
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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: 500g
  • 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 122560-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

122560-63-8 / 1,2-bis(ethenyl)benzene;(2-ethenylphenyl)-trimethylazanium;styrene;chloride

Standard CAS: 122560-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122560-63-8
Multi CAS
No
Molecular Formula
C29H34ClN
Molecular Weight
432.000000
Exact Mass
431.237978
SMILES
C[N+](C)(C)C1=CC=CC=C1C=C.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C.[Cl-]
InChI
InChI=1S/C11H16N.C10H10.C8H8.ClH/c1-5-10-8-6-7-9-11(10)12(2,3)4;1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;/h5-9H,1H2,2-4H3;3-8H,1-2H2;2-7H,1H2;1H/q+1;;;/p-1
InChIKey
YETYXHVMTISNHZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
139.26
TPSA
0.0000

LogP / Solubility

WLOGP
4.83
MLOGP
4.28
XLogP3
4.83
Consensus LogP
4.65
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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