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CAS 49584-65-8 2,2,4,6,7-PENTAMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINE molecular structure lightbox
CAS RN: 49584-65-8

2,2,4,6,7-PENTAMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINE

  • Product code: SSC-155792
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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 49584-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

49584-65-8 / 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline

Standard CAS: 49584-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49584-65-8
Multi CAS
No
Molecular Formula
C14H21N
Molecular Weight
203.320000
Exact Mass
203.167400
InChI
InChI=1S/C14H21N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-7,11,15H,8H2,1-5H3
InChIKey
ZHYQUVAZTCEITH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.65
TPSA
12.03

LogP / Solubility

WLOGP
4
MLOGP
3.52
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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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