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CAS 20205-30-5 1-Butyl-2,3,3-trimethyl-3H-indol-1-ium iodide molecular structure lightbox
CAS RN: 20205-30-5

1-Butyl-2,3,3-trimethyl-3H-indol-1-ium iodide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-095219
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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: ≥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 20205-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

20205-30-5 / 1-butyl-2,3,3-trimethylindol-1-ium iodide

Standard CAS: 20205-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20205-30-5
Multi CAS
No
Molecular Formula
C15H22IN
Molecular Weight
343.250000
Exact Mass
343.079700
SMILES
CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.[I-]
InChI
InChI=1S/C15H22N.HI/c1-5-6-11-16-12(2)15(3,4)13-9-7-8-10-14(13)16;/h7-10H,5-6,11H2,1-4H3;1H/q+1;/p-1
InChIKey
IRFPZGGBKVIINP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
69.84
TPSA
3.01

LogP / Solubility

WLOGP
0.89
MLOGP
0.8
XLogP3
0.89
Consensus LogP
0.86
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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