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CAS 2090929-24-9 6-Ethynyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine molecular structure lightbox
CAS RN: 2090929-24-9

6-Ethynyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

  • Product code: SSC-098611
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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, 1g, 0.25g
  • 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 2090929-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

2090929-24-9 / 6-ethynyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

Standard CAS: 2090929-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2090929-24-9
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
C#CC1=NC2=C(C=C1)NCCO2
InChI
InChI=1S/C9H8N2O/c1-2-7-3-4-8-9(11-7)12-6-5-10-8/h1,3-4,10H,5-6H2
InChIKey
IIHNCUWYFNCOQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.16
TPSA
34.15

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
1.2
Consensus LogP
0.94
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.08

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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