[email protected]
CAS 22934-13-0 2(1H)-pyridinone, 4,6-dimethyl-3-nitro- molecular structure lightbox
CAS RN: 22934-13-0

2(1H)-pyridinone, 4,6-dimethyl-3-nitro-

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 1g In stock Shenzhen Inquiry
Batchno.20251001 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260207 5g Out of stock Inquiry
  • Product code: SSC-111562
GET A QUOTE
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
Request Bulk Quote

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 22934-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

22934-13-0 / 4,6-dimethyl-3-nitro-1H-pyridin-2-one

Standard CAS: 22934-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22934-13-0
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
CC1=CC(=C(C(=O)N1)[N+](=O)[O-])C
InChI
InChI=1S/C7H8N2O3/c1-4-3-5(2)8-7(10)6(4)9(11)12/h3H,1-2H3,(H,8,10)
InChIKey
NACUUHJKIYEVFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.19
TPSA
76

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

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

Customers Also Viewed

Get In Touch

Contact Us