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CAS 174648-98-7 6-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE molecular structure lightbox
CAS RN: 174648-98-7

6-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250328 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260228 25g In stock Shanghai Inquiry
Batchno.20260215 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-076613
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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: 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 174648-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

174648-98-7 / 6-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

Standard CAS: 174648-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174648-98-7
Multi CAS
No
Molecular Formula
C9H11ClN2O2
Molecular Weight
214.650000
Exact Mass
214.050905
SMILES
C1CNCC2=C1C=C(C=C2)[N+](=O)[O-].Cl
InChI
InChI=1S/C9H10N2O2.ClH/c12-11(13)9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10H,3-4,6H2;1H
InChIKey
NUFVUSRESXWUGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.76
TPSA
55.17

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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