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CAS 356058-42-9 1H-CyclopentapyriMidine-1-acetic acid, 2-[[(4-fluorophenyl)Methyl]thio]-4,5,6,7-tetrahydro-4-oxo- molecular structure lightbox
CAS RN: 356058-42-9

1H-CyclopentapyriMidine-1-acetic acid, 2-[[(4-fluorophenyl)Methyl]thio]-4,5,6,7-tetrahydro-4-oxo-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250528 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-142630
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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 356058-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

356058-42-9 / 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid

Standard CAS: 356058-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356058-42-9
Multi CAS
Yes
Molecular Formula
C16FH15N2O3S
Molecular Weight
334.400000
Exact Mass
334.078742
InChI
InChI=1S/C16H15FN2O3S/c17-11-6-4-10(5-7-11)9-23-16-18-15(22)12-2-1-3-13(12)19(16)8-14(20)21/h4-7H,1-3,8-9H2,(H,20,21)
InChIKey
DJGRXBDYBUKPOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.12
TPSA
72.19

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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