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CAS 1762-45-4 Dimethyl 2,2′-Bipyridine-5,5′-dicarboxylate molecular structure lightbox
CAS RN: 1762-45-4

Dimethyl 2,2′-Bipyridine-5,5′-dicarboxylate

  • Product code: SSC-077210
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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: 5g
  • 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 1762-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1762-45-4 / methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

Standard CAS: 1762-45-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1762-45-4
Multi CAS
No
Molecular Formula
C14H12N2O4
Molecular Weight
272.260000
Exact Mass
272.079707
SMILES
COC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3
InChIKey
NJAYXDBLSXUUGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
70.15
TPSA
78.38

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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