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CAS 397308-78-0 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid molecular structure lightbox
CAS RN: 397308-78-0

4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250322 1g In stock Inquiry
Batchno.20260319 250mg In stock Inquiry
Batchno.20251204 25g In stock Inquiry
Batchno.20250813 5g In stock Inquiry
  • Product code: SSC-147459
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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: 10g
  • 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 397308-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

397308-78-0 / 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid

Standard CAS: 397308-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
397308-78-0
Multi CAS
Yes
Molecular Formula
C6H6N2O3S
Molecular Weight
186.190000
Exact Mass
186.009913
InChI
InChI=1S/C6H6N2O3S/c1-12-6-7-2-3(5(10)11)4(9)8-6/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey
MOAJQWKFKCJUKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.6
TPSA
83.05

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.5
Consensus LogP
0.29
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.72

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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