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CAS 1822454-85-2 Ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1822454-85-2

Ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251102 100mg Out of stock Inquiry
Batchno.20260109 1g In stock Shanghai Inquiry
Batchno.20250507 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-083257
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1822454-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry

1822454-85-2 / ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride

Standard CAS: 1822454-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1822454-85-2
Multi CAS
No
Molecular Formula
C12H15ClFNO2
Molecular Weight
259.700000
Exact Mass
259.077535
SMILES
CCOC(=O)C1C2=C(CCN1)C=C(C=C2)F.Cl
InChI
InChI=1S/C12H14FNO2.ClH/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11;/h3-4,7,11,14H,2,5-6H2,1H3;1H
InChIKey
AOYJLIMBQWIAAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.73
TPSA
38.33

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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