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CAS 380388-49-8 2-METHYL-5-PYRROLIDIN-1-YLPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 380388-49-8

2-METHYL-5-PYRROLIDIN-1-YLPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBALDEHYDE

  • Product code: SSC-145502
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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 380388-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

380388-49-8 / 2-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]quinazoline-3-carbaldehyde

Standard CAS: 380388-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380388-49-8
Multi CAS
No
Molecular Formula
C16H16N4O
Molecular Weight
280.320000
Exact Mass
280.132411
InChI
InChI=1S/C16H16N4O/c1-11-13(10-21)16-17-15(19-8-4-5-9-19)12-6-2-3-7-14(12)20(16)18-11/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKey
LJEXAZUJVNGKKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.06
TPSA
50.5

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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