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CAS 199327-61-2 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one molecular structure lightbox
CAS RN: 199327-61-2

7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one

  • Product code: SSC-093857
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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: 10g, 5g, 25g, 100g
  • 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 199327-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

199327-61-2 / 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

Standard CAS: 199327-61-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
199327-61-2
Multi CAS
No
Molecular Formula
C16H21N3O4
Molecular Weight
319.360000
Exact Mass
319.153206
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)OCCCN3CCOCC3
InChI
InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKey
WFUBWLXSYCFZEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.29
TPSA
76.68

LogP / Solubility

WLOGP
1.03
MLOGP
0.92
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

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
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H360D ***: May damage the unborn child [Danger Reproductive toxicity] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501 P203, P273, P280, P318, P405, and P501

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