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CAS 790304-84-6 Isoquinoline, 6-(1-methylethyl)- (9CI) molecular structure lightbox
CAS RN: 790304-84-6

Isoquinoline, 6-(1-methylethyl)- (9CI)

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 100g Out of stock 8-10 business days Inquiry
Batchno.20260115 25g In stock Shanghai Inquiry
Batchno.20250830 5g In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 100g Out of stock 5-7 business days Inquiry
Batchno.20260312 25g In stock Shanghai Inquiry
Batchno.20250126 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-188254
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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: 5g
  • Available purity: ＞97%
  • 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 790304-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

790304-84-6 / 6-propan-2-ylisoquinoline

Standard CAS: 790304-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790304-84-6
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-9H,1-2H3
InChIKey
ILBIJOWSHVGZPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.83
TPSA
12.89

LogP / Solubility

WLOGP
3.36
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.38

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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