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CAS 98-96-4 Pyrazinamide molecular structure lightbox
CAS RN: 98-96-4

Pyrazinamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-212469
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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, 10g, 25g, 100g
  • 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 98-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

98-96-4 / pyrazine-2-carboxamide

Standard CAS: 98-96-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98-96-4
Multi CAS
Yes
Molecular Formula
C5H5N3O
Molecular Weight
123.110000
Exact Mass
123.043262
InChI
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey
IPEHBUMCGVEMRF-UHFFFAOYSA-N

Physical Properties

Melting Point
376 to 379 °F (NTP, 1992) 192 °C
Boiling Point
SUB (NTP, 1992)
Physical Description
Pyrazinamide is a white powder. Sublimes from 318 °F. (NTP, 1992) Solid
Appearance
Crystals Crystals from water or alcohol Crystals from water or ethyl alcohol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.55
TPSA
68.87

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.38
XLogP3
-0.6
Consensus LogP
-0.47
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.77

Drug-likeness / Medicinal Chemistry

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

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