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CAS 179688-52-9 6-Hydroxy-7-methoxy-3H-quinazolin-4-one molecular structure lightbox
CAS RN: 179688-52-9

6-Hydroxy-7-methoxy-3H-quinazolin-4-one

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250315 1g In stock Inquiry
Batchno.20250114 25g In stock Inquiry
Batchno.20260525 5g In stock Inquiry
  • Product code: SSC-080065
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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: 5g, 1g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 179688-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Beijing Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

179688-52-9 / 6-hydroxy-7-methoxy-3H-quinazolin-4-one

Standard CAS: 179688-52-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179688-52-9
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4,12H,1H3,(H,10,11,13)
InChIKey
OKZIRNNFVQCDSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.58
TPSA
75.21

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
0.3
Consensus LogP
0.5
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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