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CAS 1000340-80-6 4-AMINO-6-CHLORO-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-80-6

4-AMINO-6-CHLORO-7-AZAINDOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1000340-80-6
  • Purity/Analytical Methods: >99.0%
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1000340-80-6 / 6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine

1000340-80-6 | 6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine | DTXSID30646915

Standard CAS: 1000340-80-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000340-80-6
Multi CAS
Yes
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
C1=CNC2=C1C(=CC(=N2)Cl)N
InChI
InChI=1S/C7H6ClN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)
InChIKey
IKFOABTXBHOTPL-UHFFFAOYSA-N
Synonyms
1000340-80-6 6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine DTXSID30646915 6-Chloro-1H-pyrrolo(2,3-b)pyridin-4-amine RefChem:307748

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
1.6
Consensus LogP
1.66
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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