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CAS 108166-01-4 Methyl 2-Methyl-6-quinolinecarboxylate molecular structure lightbox
CAS RN: 108166-01-4

Methyl 2-Methyl-6-quinolinecarboxylate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 1g In stock Shanghai Inquiry
Batchno.20260419 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260126 25g In stock Shenzhen Inquiry
Batchno.20250423 5g In stock Shanghai Inquiry
  • Product code: SSC-009404
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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, 5g, 10g, 25g
  • 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 108166-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

108166-01-4 / methyl 2-methylquinoline-6-carboxylate

methyl 2-methylquinoline-6-carboxylate | DTXSID60368012 | RefChem:354421

Standard CAS: 108166-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108166-01-4
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H11NO2/c1-8-3-4-9-7-10(12(14)15-2)5-6-11(9)13-8/h3-7H,1-2H3
InChIKey
KGSIXOOGGCSYTB-UHFFFAOYSA-N
Synonyms
methyl 2-methylquinoline-6-carboxylate DTXSID60368012 RefChem:354421 DTXCID70319050 METHYL 2-METHYL-6-QUINOLINECARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.82
TPSA
39.19

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

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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