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CAS 51991-94-7 5-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLICACID molecular structure lightbox
CAS RN: 51991-94-7

5-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLICACID

  • Product code: SSC-159046
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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
  • 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 51991-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

51991-94-7 / 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Standard CAS: 51991-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51991-94-7
Multi CAS
Yes
Molecular Formula
C7H4N2O3S
Molecular Weight
196.190000
Exact Mass
195.994263
InChI
InChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)
InChIKey
FDGPDTWORUVKQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.3
TPSA
71.67

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.59

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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