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CAS 21796-15-6 1(2H)-Isoquinolinone, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl- molecular structure lightbox
CAS RN: 21796-15-6

1(2H)-Isoquinolinone, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250220 1mg Out of stock Inquiry
  • Product code: SSC-105167
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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 21796-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

21796-15-6 / 7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

Standard CAS: 21796-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21796-15-6
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CN1CCC2=CC(=C(C=C2C1=O)O)OC
InChI
InChI=1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h5-6,13H,3-4H2,1-2H3
InChIKey
WPKMGEQXTYQXGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.32
TPSA
49.77

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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