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CAS 118864-75-8 (S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline molecular structure lightbox
CAS RN: 118864-75-8

(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-019100
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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: 5g, 10g, 1g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 118864-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

118864-75-8 / (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

1,2,3,4-Tetrahydro-1-phenylisoquinoline | Phenyl-TIQ | RefChem:435476

Standard CAS: 118864-75-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118864-75-8
Multi CAS
Yes
Molecular Formula
C15H15N
Molecular Weight
209.290000
Exact Mass
209.120449
SMILES
C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKey
PRTRSEDVLBBFJZ-HNNXBMFYSA-N
Synonyms
1,2,3,4-Tetrahydro-1-phenylisoquinoline Phenyl-TIQ RefChem:435476 1-Phenyl-1,2,3,4-tetrahydroisoquinoline 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.43
TPSA
12.03

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3
Consensus LogP
2.83
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (17.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (70.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (17.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501

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