[email protected]
CAS 1092352-65-2 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid molecular structure lightbox
CAS RN: 1092352-65-2

2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251108 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250827 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250424 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-010419
GET A QUOTE
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
Request Bulk Quote

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 1092352-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1092352-65-2 / 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid

2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid | RefChem:475392 | 887-763-0

Standard CAS: 1092352-65-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092352-65-2
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
SMILES
CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H9NO4/c1-5-9(12)11-7-4-6(10(13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKey
JDFHPMWWJCAFQJ-UHFFFAOYSA-N
Synonyms
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid RefChem:475392 887-763-0 2-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylic acid 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.12
TPSA
75.63

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us