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CAS 29209-01-6 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide molecular structure lightbox
CAS RN: 29209-01-6

2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide

  • Product code: SSC-131653
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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
  • Available purity: >95%
  • 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 29209-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry

29209-01-6 / 2-methyl-1,1-dioxo-4H-1lambda6,2-benzothiazin-3-one

Standard CAS: 29209-01-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29209-01-6
Multi CAS
Yes
Molecular Formula
C9H9NO3S
Molecular Weight
211.240000
Exact Mass
211.030314
InChI
InChI=1S/C9H9NO3S/c1-10-9(11)6-7-4-2-3-5-8(7)14(10,12)13/h2-5H,6H2,1H3
InChIKey
GGPCERYTJXDGOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
Molar refractivity
50.1
TPSA
54.45

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.73

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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