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CAS 588-36-3 (4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL molecular structure lightbox
CAS RN: 588-36-3

(4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-167129
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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 588-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

588-36-3 / (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol

Standard CAS: 588-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588-36-3
Multi CAS
Yes
Molecular Formula
C6H9N3OS
Molecular Weight
171.220000
Exact Mass
171.046633
InChI
InChI=1S/C6H9N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
InChIKey
XLVOWGDFXAVSFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.15
TPSA
72.03

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
0.4
Consensus LogP
0.3
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.57

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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