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CAS 6286-65-3 6,7-DIMETHOXY-2-METHYL-3,1-BENZOXAZIN-4-ONE molecular structure lightbox
CAS RN: 6286-65-3

6,7-DIMETHOXY-2-METHYL-3,1-BENZOXAZIN-4-ONE

  • Product code: SSC-172230
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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: ≥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 6286-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6286-65-3 / 6,7-dimethoxy-2-methyl-3,1-benzoxazin-4-one

Standard CAS: 6286-65-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6286-65-3
Multi CAS
Yes
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
InChI
InChI=1S/C11H11NO4/c1-6-12-8-5-10(15-3)9(14-2)4-7(8)11(13)16-6/h4-5H,1-3H3
InChIKey
WXCFBRKFNFJAGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.12
TPSA
61.56

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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