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CAS 856579-28-7 3-METHOXYCARBONYL-5-NITRO-2(1H)-PYRIDINONE molecular structure lightbox
CAS RN: 856579-28-7

3-METHOXYCARBONYL-5-NITRO-2(1H)-PYRIDINONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-194163
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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 856579-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

856579-28-7 / methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate

Standard CAS: 856579-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
856579-28-7
Multi CAS
Yes
Molecular Formula
C7H6N2O5
Molecular Weight
198.130000
Exact Mass
198.027671
InChI
InChI=1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10)
InChIKey
DLMMETCUQGSGOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.06
TPSA
102.3

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.2
Consensus LogP
-0.02
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.88

Drug-likeness / Medicinal Chemistry

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

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