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CAS 40175-06-2 ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85 molecular structure lightbox
CAS RN: 40175-06-2

ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85

  • Product code: SSC-148201
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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 40175-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

40175-06-2 / ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

Standard CAS: 40175-06-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40175-06-2
Multi CAS
Yes
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
InChI
InChI=1S/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKey
GKMQAGZRPQBLHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.83
TPSA
29.54

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-3.18

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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