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CAS 929973-87-5 METHYL 5-CYANO-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 929973-87-5

METHYL 5-CYANO-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE

  • Product code: SSC-206942
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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 929973-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

929973-87-5 / methyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate

Standard CAS: 929973-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
929973-87-5
Multi CAS
Yes
Molecular Formula
C8H6N2O3
Molecular Weight
178.140000
Exact Mass
178.037842
InChI
InChI=1S/C8H6N2O3/c1-13-8(12)6-2-5(3-9)7(11)10-4-6/h2,4H,1H3,(H,10,11)
InChIKey
LVRFNIGGWFTAGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.12
TPSA
82.95

LogP / Solubility

WLOGP
0.03
MLOGP
0.03
XLogP3
-0.3
Consensus LogP
-0.08
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.78

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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