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CAS 202195-67-3 METHYL 3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE molecular structure lightbox
CAS RN: 202195-67-3

METHYL 3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE

  • Product code: SSC-095268
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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: 1g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 202195-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

202195-67-3 / methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate

Standard CAS: 202195-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202195-67-3
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
SMILES
COC(=O)C1=CC2=C(C=C1)OCC(=O)N2
InChI
InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey
WPGYGHFVLMZWHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.91
TPSA
64.63

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.74
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.41

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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