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CAS 214848-62-1 3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 214848-62-1

3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250727 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250530 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250525 25g In stock Shanghai Inquiry
Batchno.20260225 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-103008
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 214848-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

214848-62-1 / 3-oxo-4H-1,4-benzoxazine-7-carboxylic acid

Standard CAS: 214848-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214848-62-1
Multi CAS
No
Molecular Formula
C9H7NO4
Molecular Weight
193.160000
Exact Mass
193.037508
SMILES
C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C9H7NO4/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey
JUPRMLOKNXQWDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.53
TPSA
75.63

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.39

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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