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CAS 103733-33-1 L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 103733-33-1

L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005343
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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 103733-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

103733-33-1 / ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride

l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride | RefChem:794398 | 672-553-1

Standard CAS: 103733-33-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103733-33-1
Multi CAS
Yes
Molecular Formula
C12H16ClNO2
Molecular Weight
241.710000
Exact Mass
241.086956
SMILES
CCOC(=O)C1C2=CC=CC=C2CCN1.Cl
InChI
InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H
InChIKey
LRLJUGFKJBKGTR-UHFFFAOYSA-N
Synonyms
l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride RefChem:794398 672-553-1 ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.77
TPSA
38.33

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

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

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