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CAS 73075-49-7 6,7-Dichloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride molecular structure lightbox
CAS RN: 73075-49-7

6,7-Dichloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

  • Product code: SSC-182512
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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 73075-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

73075-49-7 / 6,7-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

Standard CAS: 73075-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73075-49-7
Multi CAS
No
Molecular Formula
C9H10CL3N
Molecular Weight
238.500000
Exact Mass
236.987882
InChI
InChI=1S/C9H9Cl2N.ClH/c10-8-3-6-1-2-12-5-7(6)4-9(8)11;/h3-4,12H,1-2,5H2;1H
InChIKey
BSRXWAYVSPJBFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.12
TPSA
12.03

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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

Drug-likeness / Medicinal Chemistry

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

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