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CAS 1001754-82-0 tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1001754-82-0

tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000582
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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 1001754-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1001754-82-0 / tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate | MFCD10001439 | 1-BOC-4-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDINE

Standard CAS: 1001754-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001754-82-0
Multi CAS
No
Molecular Formula
C14H20ClN3O2
Molecular Weight
297.780000
Exact Mass
297.124405
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-8-5-10(6-9-18)11-4-7-16-12(15)17-11/h4,7,10H,5-6,8-9H2,1-3H3
InChIKey
QLZAPBRELYGZIY-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate MFCD10001439 1-BOC-4-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDINE tert-Butyl4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate TERT-BUTYL-4-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDINE-1-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
76.82
TPSA
55.32

LogP / Solubility

WLOGP
3.24
MLOGP
2.87
XLogP3
2.6
Consensus LogP
2.9
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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