CAS RN: 1000340-38-4
3-AMINO-4-CHLORO-7-AZAINDOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1000340-38-4
- Purity/Analytical Methods: >99.0%
1000340-38-4 / 4-chloro-1H-pyrrolo[2,3-b]pyridin-3-amine
4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-amine | 1000340-38-4 | 3-Amino-4-chloro-7-azaindole
Basic Information
CAS
1000340-38-4
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)N
InChI
InChI=1S/C7H6ClN3/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,9H2,(H,10,11)
InChIKey
YKPPFTFSPGZWLB-UHFFFAOYSA-N
Synonyms
4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-amine
1000340-38-4
3-Amino-4-chloro-7-azaindole
MFCD09880130
1H-Pyrrolo[2,3-b]pyridin-3-amine, 4-chloro-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.52
TPSA
54.7
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.56
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.47
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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