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CAS 362656-23-3 8-cyclopentyl-5-Methyl-2-(Methylthio)pyrido[2,3-d]pyriMidin-7(8H)-one molecular structure lightbox
CAS RN: 362656-23-3

8-cyclopentyl-5-Methyl-2-(Methylthio)pyrido[2,3-d]pyriMidin-7(8H)-one

  • Product code: SSC-143445
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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 362656-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

362656-23-3 / 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

Standard CAS: 362656-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
362656-23-3
Multi CAS
No
Molecular Formula
C14H17N3OS
Molecular Weight
275.370000
Exact Mass
275.109233
InChI
InChI=1S/C14H17N3OS/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2/h7-8,10H,3-6H2,1-2H3
InChIKey
KKDBBMQOMJUVIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
77.82
TPSA
47.78

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.2
Consensus LogP
2.58
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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