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CAS 861368-85-6 5-Methyl-1,2,3,4-tetrahydroquinoline hydrochloride molecular structure lightbox
CAS RN: 861368-85-6

5-Methyl-1,2,3,4-tetrahydroquinoline hydrochloride

  • Product code: SSC-195005
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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 861368-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

861368-85-6 / 5-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride

Standard CAS: 861368-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
861368-85-6
Multi CAS
Yes
Molecular Formula
C10H14CLN
Molecular Weight
183.680000
Exact Mass
183.081477
InChI
InChI=1S/C10H13N.ClH/c1-8-4-2-6-10-9(8)5-3-7-11-10;/h2,4,6,11H,3,5,7H2,1H3;1H
InChIKey
WROVTJRERLFXPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.24
TPSA
12.03

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-1.87

Drug-likeness / Medicinal Chemistry

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

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