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CAS 1002726-62-6 6-AMINO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 1002726-62-6

6-AMINO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250401 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-000702
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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: 5g
  • 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 1002726-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1002726-62-6 / 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE, 6-AMINO-2,2-DIMETHYL- | 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-amino-2,2-dimethyl- | RefChem:484422

Standard CAS: 1002726-62-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1002726-62-6
Multi CAS
Yes
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=N2)N)C
InChI
InChI=1S/C9H11N3O2/c1-9(2)8(13)12-7-5(14-9)3-4-6(10)11-7/h3-4H,1-2H3,(H3,10,11,12,13)
InChIKey
HSYOWUOUDXDSMC-UHFFFAOYSA-N
Synonyms
2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE, 6-AMINO-2,2-DIMETHYL- 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-amino-2,2-dimethyl- RefChem:484422 691-593-0 6-amino-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.99
TPSA
77.24

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.35

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)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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