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CAS 1001180-21-7 tert-Butyl (R)-4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1001180-21-7

tert-Butyl (R)-4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260226 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 100mg In stock Shanghai Inquiry
Batchno.20260128 1g In stock Shanghai Inquiry
Batchno.20250325 250mg In stock Shanghai Inquiry
Batchno.20250815 50mg In stock Shanghai Inquiry
  • Product code: SSC-000471
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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 1001180-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1001180-21-7 / tert-butyl 4-[(5R)-5-methyl-7-oxo-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate

1001180-21-7 | (R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate | MFCD28987390

Standard CAS: 1001180-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1001180-21-7
Multi CAS
Yes
Molecular Formula
C17H24N4O3
Molecular Weight
332.400000
Exact Mass
332.184841
SMILES
C[C@@H]1CC(=O)C2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H24N4O3/c1-11-9-12(22)14-13(11)15(19-10-18-14)20-5-7-21(8-6-20)16(23)24-17(2,3)4/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKey
FYSLHZSJYXKKMC-LLVKDONJSA-N
Synonyms
1001180-21-7 (R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate MFCD28987390 1-Piperazinecarboxylic acid, 4-[(5R)-6,7-dihydro-5-methyl-7-oxo-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester C17H24N4O3

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
89.41
TPSA
75.63

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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