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CAS 1115962-72-5 2-cyanopyriMidine-5-carboxylic acid molecular structure lightbox
CAS RN: 1115962-72-5

2-cyanopyriMidine-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-012220
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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: ≥95%
  • 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 1115962-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1115962-72-5 / 2-cyanopyrimidine-5-carboxylic acid

2-CYANOPYRIMIDINE-5-CARBOXYLIC ACID | MFCD12755887 | SCHEMBL185724

Standard CAS: 1115962-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1115962-72-5
Multi CAS
No
Molecular Formula
C6H3N3O2
Molecular Weight
149.110000
Exact Mass
149.022526
SMILES
C1=C(C=NC(=N1)C#N)C(=O)O
InChI
InChI=1S/C6H3N3O2/c7-1-5-8-2-4(3-9-5)6(10)11/h2-3H,(H,10,11)
InChIKey
GZCITSSHGGYVFC-UHFFFAOYSA-N
Synonyms
2-CYANOPYRIMIDINE-5-CARBOXYLIC ACID MFCD12755887 SCHEMBL185724 GZCITSSHGGYVFC-UHFFFAOYSA-N AKOS022181889

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.71
TPSA
86.87

LogP / Solubility

WLOGP
0.05
MLOGP
0.03
XLogP3
-0.2
Consensus LogP
-0.04
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.6

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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