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CAS 1159822-61-3 5-Methoxyisoindoline hydrochloride molecular structure lightbox
CAS RN: 1159822-61-3

5-Methoxyisoindoline hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260428 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250126 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260606 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260114 5g In stock Shanghai Inquiry
  • Product code: SSC-015899
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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, 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 1159822-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1159822-61-3 / 5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride

5-Methoxyisoindoline hydrochloride | 5-methoxy-2,3-dihydro-1h-isoindole hydrochloride | MFCD09997806

Standard CAS: 1159822-61-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159822-61-3
Multi CAS
Yes
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
COC1=CC2=C(CNC2)C=C1.Cl
InChI
InChI=1S/C9H11NO.ClH/c1-11-9-3-2-7-5-10-6-8(7)4-9;/h2-4,10H,5-6H2,1H3;1H
InChIKey
KXUMTVFTWNZMDR-UHFFFAOYSA-N
Synonyms
5-Methoxyisoindoline hydrochloride 5-methoxy-2,3-dihydro-1h-isoindole hydrochloride MFCD09997806 5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride 5-Methoxyisoindoline HCl

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.79
TPSA
21.26

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.63

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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