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CAS 7661-60-1 Isoquinoline, 1-ethyl- molecular structure lightbox
CAS RN: 7661-60-1

Isoquinoline, 1-ethyl-

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250422 1g Out of stock Inquiry
Batchno.20250618 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260506 50mg In stock Shanghai Inquiry
Batchno.20260605 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7661-60-1
  • Purity/Analytical Methods: >99.0%
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7661-60-1 / 1-ethylisoquinoline

Standard CAS: 7661-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7661-60-1
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
InChI
InChI=1S/C11H11N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-8H,2H2,1H3
InChIKey
UBDYMAZEEMMDCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.12
TPSA
12.89

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-1.69

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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