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CAS 799283-92-4 1-(5-BROMOPYRIMIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 799283-92-4

1-(5-BROMOPYRIMIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-188941
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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 799283-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

799283-92-4 / 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid

Standard CAS: 799283-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
799283-92-4
Multi CAS
No
Molecular Formula
BC10H12O2Rn3
Molecular Weight
286.130000
Exact Mass
285.011290
InChI
InChI=1S/C10H12BrN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h5-7H,1-4H2,(H,15,16)
InChIKey
NKCDUFJDLOFCEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.3
TPSA
66.32

LogP / Solubility

WLOGP
1.54
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-3.37

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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