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CAS 102065-94-1 8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 102065-94-1

8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-003311
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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 102065-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

102065-94-1 / 8-methyl-4H-1,4-benzoxazin-3-one

8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE | 2H-1,4-Benzoxazin-3(4H)-one, 8-methyl- | 8-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

Standard CAS: 102065-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102065-94-1
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
SMILES
CC1=C2C(=CC=C1)NC(=O)CO2
InChI
InChI=1S/C9H9NO2/c1-6-3-2-4-7-9(6)12-5-8(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
SXJYJSYBBLSIPL-UHFFFAOYSA-N
Synonyms
8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE 2H-1,4-Benzoxazin-3(4H)-one, 8-methyl- 8-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE 8-methyl-4H-1,4-benzoxazin-3-one 8-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.3
TPSA
38.33

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.2
Consensus LogP
1.23
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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