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CAS 58792-53-3 [2,2′-Bipyridine]-5-carboxylic acid, methyl ester molecular structure lightbox
CAS RN: 58792-53-3

[2,2′-Bipyridine]-5-carboxylic acid, methyl ester

  • Product code: SSC-167116
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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 58792-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58792-53-3 / methyl 6-pyridin-2-ylpyridine-3-carboxylate

Standard CAS: 58792-53-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58792-53-3
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
InChI
InChI=1S/C12H10N2O2/c1-16-12(15)9-5-7-14-11(8-9)10-4-2-3-6-13-10/h2-8H,1H3
InChIKey
SHNLPSIFBMTXDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.81
TPSA
52.08

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

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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