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CAS 1417557-82-4 tert-Butyl Quinazoline-4-acetate molecular structure lightbox
CAS RN: 1417557-82-4

tert-Butyl Quinazoline-4-acetate

  • Product code: SSC-052387
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1417557-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1417557-82-4 / tert-butyl 2-quinazolin-4-ylacetate

Standard CAS: 1417557-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417557-82-4
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
SMILES
CC(C)(C)OC(=O)CC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)8-12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9H,8H2,1-3H3
InChIKey
BBIOXNNTEMJFHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.09
TPSA
52.08

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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