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CAS 102226-41-5 2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI) molecular structure lightbox
CAS RN: 102226-41-5

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

  • Product code: SSC-003523
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102226-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

102226-41-5 / 3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

2H,3H,4H-pyrido[4,3-b][1,4]oxazine | 3,4-Dihydro-2H-pyrido[4,3-b]-1,4-oxazine | 2H,3H,4H-pyrido(4,3-b)(1,4)oxazine

Standard CAS: 102226-41-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102226-41-5
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1COC2=C(N1)C=NC=C2
InChI
InChI=1S/C7H8N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1-2,5,9H,3-4H2
InChIKey
HKSOYMJNDHHYEI-UHFFFAOYSA-N
Synonyms
2H,3H,4H-pyrido[4,3-b][1,4]oxazine 3,4-Dihydro-2H-pyrido[4,3-b]-1,4-oxazine 2H,3H,4H-pyrido(4,3-b)(1,4)oxazine 3,4-Dihydro-2H-pyrido(4,3-b)-1,4-oxazine RefChem:484014

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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