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CAS 390816-44-1 Methyl 5-Methoxy-6-nitropicolinate molecular structure lightbox
CAS RN: 390816-44-1

Methyl 5-Methoxy-6-nitropicolinate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260618 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260315 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260609 5g In stock Shanghai Inquiry
  • Product code: SSC-146681
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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 390816-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

390816-44-1 / methyl 5-methoxy-6-nitropyridine-2-carboxylate

Standard CAS: 390816-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
390816-44-1
Multi CAS
No
Molecular Formula
C8H8N2O5
Molecular Weight
212.160000
Exact Mass
212.043321
InChI
InChI=1S/C8H8N2O5/c1-14-6-4-3-5(8(11)15-2)9-7(6)10(12)13/h3-4H,1-2H3
InChIKey
OCQAYEZVBSVDLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
48.78
TPSA
91.56

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
1.2
Consensus LogP
0.89
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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