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CAS 194022-45-2 1H-Pyrido[3,4-b][1,4]oxazine,2,3-dihydro-(9CI) molecular structure lightbox
CAS RN: 194022-45-2

1H-Pyrido[3,4-b][1,4]oxazine,2,3-dihydro-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS194022-45-2
  • Purity/Analytical Methods: >99.0%
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194022-45-2 / 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

Standard CAS: 194022-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194022-45-2
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1COC2=C(N1)C=CN=C2
InChI
InChI=1S/C7H8N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,5,9H,3-4H2
InChIKey
AMSFZNPHLRKOIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.22
TPSA
34.15

LogP / Solubility

WLOGP
0.89
MLOGP
0.77
XLogP3
0.6
Consensus LogP
0.75
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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