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CAS 104959-27-5 Indole-d6 molecular structure lightbox
CAS RN: 104959-27-5

Indole-d6

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250622 10mg In stock Inquiry
Batchno.20250213 5mg Out of stock Inquiry
  • Product code: SSC-006683
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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: 0.01g
  • 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 104959-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ＞95% 0 Out of Stock Beijing Inquiry

104959-27-5 / 2,3,4,5,6,7-hexadeuterio-1H-indole

Indole-d6 | 2,3,4,5,6,7-Hexadeuterio-1H-indole | (2,3,4,5,6,7-?H?)-1H-indole

Standard CAS: 104959-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104959-27-5
Multi CAS
Yes
Molecular Formula
C8H7N
Molecular Weight
123.180000
Exact Mass
123.095510
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i1D,2D,3D,4D,5D,6D
InChIKey
SIKJAQJRHWYJAI-MZWXYZOWSA-N
Synonyms
Indole-d6 2,3,4,5,6,7-Hexadeuterio-1H-indole (2,3,4,5,6,7-?H?)-1H-indole 1H-Indole-d6 1-Azaindene-d6

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
38.3
TPSA
15.79

LogP / Solubility

WLOGP
2.17
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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