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CAS 1203682-51-2 4-Methoxyisoindoline hydrochloride molecular structure lightbox
CAS RN: 1203682-51-2

4-Methoxyisoindoline hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260510 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260502 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
Batchno.20250625 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-021274
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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: ＞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 1203682-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1203682-51-2 / 4-methoxy-2,3-dihydro-1H-isoindole;hydrochloride

4-methoxy-2,3-dihydro-1H-isoindole hydrochloride | RefChem:524510 | 868-363-5

Standard CAS: 1203682-51-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203682-51-2
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
COC1=CC=CC2=C1CNC2.Cl
InChI
InChI=1S/C9H11NO.ClH/c1-11-9-4-2-3-7-5-10-6-8(7)9;/h2-4,10H,5-6H2,1H3;1H
InChIKey
YJPCQSUVCPLNGF-UHFFFAOYSA-N
Synonyms
4-methoxy-2,3-dihydro-1H-isoindole hydrochloride RefChem:524510 868-363-5 4-Methoxyisoindoline hydrochloride MFCD10700138

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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