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CAS 1824123-04-7 7-Ethynyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one molecular structure lightbox
CAS RN: 1824123-04-7

7-Ethynyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

  • Product code: SSC-084201
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1824123-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

1824123-04-7 / 7-ethynyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Standard CAS: 1824123-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824123-04-7
Multi CAS
No
Molecular Formula
C9H6N2O2
Molecular Weight
174.160000
Exact Mass
174.042927
SMILES
C#CC1=CC2=C(NC(=O)CO2)N=C1
InChI
InChI=1S/C9H6N2O2/c1-2-6-3-7-9(10-4-6)11-8(12)5-13-7/h1,3-4H,5H2,(H,10,11,12)
InChIKey
XIVONTWDADBNCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.3
TPSA
51.22

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.5

Drug-likeness / Medicinal Chemistry

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

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