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CAS 116937-07-6 8H-Imidazo[5,1-c][1,4]oxazine,5,6-dihydro-(9CI) molecular structure lightbox
CAS RN: 116937-07-6

8H-Imidazo[5,1-c][1,4]oxazine,5,6-dihydro-(9CI)

  • Product code: SSC-016753
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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: 0.25g
  • Available purity: ≥95%
  • 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 116937-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

116937-07-6 / 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

5H,6H,8H-IMIDAZO[4,3-C][1,4]OXAZINE | 5H,6H,8H-imidazo(4,3-c)(1,4)oxazine | RefChem:538186

Standard CAS: 116937-07-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116937-07-6
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C1COCC2=CN=CN21
InChI
InChI=1S/C6H8N2O/c1-2-9-4-6-3-7-5-8(1)6/h3,5H,1-2,4H2
InChIKey
QCRCMKPGYVWZEH-UHFFFAOYSA-N
Synonyms
5H,6H,8H-IMIDAZO[4,3-C][1,4]OXAZINE 5H,6H,8H-imidazo(4,3-c)(1,4)oxazine RefChem:538186 882-621-4 6,8-Dihydro-5H-imidazo[5,1-c][1,4]oxazine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
31.88
TPSA
27.05

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
-0.6
Consensus LogP
0.05
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.18

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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