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CAS 29726-60-1 3-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE molecular structure lightbox
CAS RN: 29726-60-1

3-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE

  • Product code: SSC-132833
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 29726-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

29726-60-1 / 3-methyl-1,2,3,4-tetrahydroisoquinoline

Standard CAS: 29726-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29726-60-1
Multi CAS
Yes
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
InChI
InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3
InChIKey
UEKQPSAKUNXFHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.45
TPSA
12.03

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-2.4

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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