[email protected]
CAS 1203579-50-3 1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1203579-50-3

1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid hydrochloride

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg In stock Shanghai Inquiry
Batchno.20260629 1g In stock Shanghai Inquiry
Batchno.20251225 250mg In stock Shanghai Inquiry
  • Product code: SSC-021229
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1203579-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1203579-50-3 / 1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid;hydrochloride

1,2,3,4-Tetrahydroisoquinoline-5-carboxylic acid hydrochloride | RefChem:410576 | 850-309-7

Standard CAS: 1203579-50-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203579-50-3
Multi CAS
No
Molecular Formula
C10H12ClNO2
Molecular Weight
213.660000
Exact Mass
213.055656
SMILES
C1CNCC2=C1C(=CC=C2)C(=O)O.Cl
InChI
InChI=1S/C10H11NO2.ClH/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2,(H,12,13);1H
InChIKey
BTYXEABVNVYNIN-UHFFFAOYSA-N
Synonyms
1,2,3,4-Tetrahydroisoquinoline-5-carboxylic acid hydrochloride RefChem:410576 850-309-7 MFCD14702500 1,2,3,4-Tetrahydroisoquinoline-5-carboxylic acid HCl

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.06
TPSA
49.33

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us