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CAS 65818-01-1 4H-Cyclopentapyrimidin-4-one, 3,5,6,7-tetrahydro-2-methyl- (9CI) molecular structure lightbox
CAS RN: 65818-01-1

4H-Cyclopentapyrimidin-4-one, 3,5,6,7-tetrahydro-2-methyl- (9CI)

  • Product code: SSC-175460
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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 65818-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

65818-01-1 / 2-methyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Standard CAS: 65818-01-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65818-01-1
Multi CAS
Yes
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKey
GPHGETSVSBZRQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
H-bond acceptors
2
Molar refractivity
42.89
TPSA
41.79

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.1
Consensus LogP
0.78
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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