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CAS 38136-96-8 6-Chloro-2-(methylthio)-5-nitropyrimidin-4-amine molecular structure lightbox
CAS RN: 38136-96-8

6-Chloro-2-(methylthio)-5-nitropyrimidin-4-amine

  • Product code: SSC-145647
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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: 0.25g
  • 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 38136-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

38136-96-8 / 6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-amine

Standard CAS: 38136-96-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38136-96-8
Multi CAS
No
Molecular Formula
C5H5CLN4O2S
Molecular Weight
220.640000
Exact Mass
219.982174
InChI
InChI=1S/C5H5ClN4O2S/c1-13-5-8-3(6)2(10(11)12)4(7)9-5/h1H3,(H2,7,8,9)
InChIKey
PGVATALNXUVGED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
49.89
TPSA
94.94

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
2
Consensus LogP
1.51
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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