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CAS 151637-59-1 DL-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 151637-59-1

DL-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID

  • Product code: SSC-061467
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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: ≥95%
  • 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 151637-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

151637-59-1 / 5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Standard CAS: 151637-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151637-59-1
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
CC1=C2CC(NCC2=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-7-3-2-4-8-6-12-10(11(13)14)5-9(7)8/h2-4,10,12H,5-6H2,1H3,(H,13,14)
InChIKey
QLFCCSYNIFSINY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.15
TPSA
49.33

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
-1
Consensus LogP
0.35
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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