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CAS 643087-30-3 1(2H)-Isoquinolinone,7-amino-3,4-dihydro-2-methyl-(9CI) molecular structure lightbox
CAS RN: 643087-30-3

1(2H)-Isoquinolinone,7-amino-3,4-dihydro-2-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-174087
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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: 1g
  • 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 643087-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

643087-30-3 / 7-amino-2-methyl-3,4-dihydroisoquinolin-1-one

Standard CAS: 643087-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
643087-30-3
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5,11H2,1H3
InChIKey
LRIVVMZEHDTDGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.52
TPSA
46.33

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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

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