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CAS 226571-61-5 4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylamine molecular structure lightbox
CAS RN: 226571-61-5

4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylamine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 100mg In stock Shanghai Inquiry
Batchno.20260406 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260616 1g In stock Shanghai Inquiry
Batchno.20250630 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250526 5g In stock Shanghai Inquiry
  • Product code: SSC-110602
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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 226571-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

226571-61-5 / 4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine

Standard CAS: 226571-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226571-61-5
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
CN1CCOC2=C1C=C(C=C2)N
InChI
InChI=1S/C9H12N2O/c1-11-4-5-12-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,10H2,1H3
InChIKey
ZTBQQMRMUWBAOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.62
TPSA
38.49

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.94

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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