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CAS 10514-70-2 2,2-DiMethyl-2H-1,4-benzoxazin-3(4H)-one molecular structure lightbox
CAS RN: 10514-70-2

2,2-DiMethyl-2H-1,4-benzoxazin-3(4H)-one

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260122 1g Out of stock Inquiry
Batchno.20250828 5g Out of stock Inquiry
  • Product code: SSC-006884
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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: ≥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 10514-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

10514-70-2 / 2,2-dimethyl-4H-1,4-benzoxazin-3-one

2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one | DTXSID90442374 | RefChem:243454

Standard CAS: 10514-70-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10514-70-2
Multi CAS
Yes
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CC1(C(=O)NC2=CC=CC=C2O1)C
InChI
InChI=1S/C10H11NO2/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
InChIKey
LJRUKUQEIHJTEL-UHFFFAOYSA-N
Synonyms
2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one DTXSID90442374 RefChem:243454 DTXCID90393195 818-542-9

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.78
TPSA
38.33

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.53

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] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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