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CAS 58142-96-4 1,3-Dichloroisoquinolin-5-aMine molecular structure lightbox
CAS RN: 58142-96-4

1,3-Dichloroisoquinolin-5-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS58142-96-4
  • Purity/Analytical Methods: >99.0%
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58142-96-4 / 1,3-dichloroisoquinolin-5-amine

Standard CAS: 58142-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58142-96-4
Multi CAS
No
Molecular Formula
C9H6CL2N2
Molecular Weight
213.060000
Exact Mass
211.990804
InChI
InChI=1S/C9H6Cl2N2/c10-8-4-6-5(9(11)13-8)2-1-3-7(6)12/h1-4H,12H2
InChIKey
IQDDSRIIBRSGOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.18
TPSA
38.91

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

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

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