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CAS 1334953-71-7 5-(4-Hydroxy-6-quinazolinyl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 1334953-71-7

5-(4-Hydroxy-6-quinazolinyl)furan-2-carbaldehyde

  • Product code: SSC-040297
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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, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1334953-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1334953-71-7 / 5-(4-oxo-3H-quinazolin-6-yl)furan-2-carbaldehyde

Standard CAS: 1334953-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334953-71-7
Multi CAS
No
Molecular Formula
C13H8N2O3
Molecular Weight
240.210000
Exact Mass
240.053492
SMILES
C1=CC2=C(C=C1C3=CC=C(O3)C=O)C(=O)NC=N2
InChI
InChI=1S/C13H8N2O3/c16-6-9-2-4-12(18-9)8-1-3-11-10(5-8)13(17)15-7-14-11/h1-7H,(H,14,15,17)
InChIKey
BHLAFAUALUGNSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.45
TPSA
75.96

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.2
Consensus LogP
1.65
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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