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CAS 142166-00-5 methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate molecular structure lightbox
CAS RN: 142166-00-5

methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-052923
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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, 5g, 0.25g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 142166-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

142166-00-5 / methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate

Standard CAS: 142166-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142166-00-5
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=O)CO2
InChI
InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
HBGXBRNLTSFTIG-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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