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CAS 100960-08-5 3-Amino-7-azaindole hydrochloride molecular structure lightbox
CAS RN: 100960-08-5

3-Amino-7-azaindole hydrochloride

  • Product code: SSC-001752
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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: 0.1g, 0.25g, 1g, 5g
  • 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 100960-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

100960-08-5 / 1H-pyrrolo[2,3-b]pyridin-3-amine;dihydrochloride

1H-pyrrolo[2,3-b]pyridin-3-amine dihydrochloride | 3-Amino-7-azaindole dihydrochloride | 3-Amino-7-azaindole DiHCl

Standard CAS: 100960-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100960-08-5
Multi CAS
Yes
Molecular Formula
C7H9Cl2N3
Molecular Weight
206.070000
Exact Mass
205.017353
SMILES
C1=CC2=C(NC=C2N)N=C1.Cl.Cl
InChI
InChI=1S/C7H7N3.2ClH/c8-6-4-10-7-5(6)2-1-3-9-7;;/h1-4H,8H2,(H,9,10);2*1H
InChIKey
SJUROPXPIWYNFJ-UHFFFAOYSA-N
Synonyms
1H-pyrrolo[2,3-b]pyridin-3-amine dihydrochloride 3-Amino-7-azaindole dihydrochloride 3-Amino-7-azaindole DiHCl MFCD11035725 1H-PYRROLO[2,3-B]PYRIDIN-3-AMINE 2HCL

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55
TPSA
54.7

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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