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CAS 90610-07-4 METHYL-3-(4-PYRIDYL)PROPANOATE molecular structure lightbox
CAS RN: 90610-07-4

METHYL-3-(4-PYRIDYL)PROPANOATE

  • Product code: SSC-203175
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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 90610-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

90610-07-4 / methyl 3-pyridin-4-ylpropanoate

Standard CAS: 90610-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90610-07-4
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKey
JAIXBISQDJNKFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
44.57
TPSA
39.19

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-2.88

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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