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CAS 13794-72-4 6,7-Dimethoxy-3H-quinazolin-4-one molecular structure lightbox
CAS RN: 13794-72-4

6,7-Dimethoxy-3H-quinazolin-4-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250105 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-047863
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 13794-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

13794-72-4 / 6,7-dimethoxy-3H-quinazolin-4-one

Standard CAS: 13794-72-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13794-72-4
Multi CAS
No
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)OC
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
InChIKey
DMSRMHGCZUXCMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.47
TPSA
64.21

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (88.4%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (11.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

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