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CAS 35511-15-0 2-METHYL-4-HYDROXY-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC METHYL ESTER-1,1-DIOXIDE molecular structure lightbox
CAS RN: 35511-15-0

2-METHYL-4-HYDROXY-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC METHYL ESTER-1,1-DIOXIDE

  • Product code: SSC-142542
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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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 35511-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

35511-15-0 / methyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate

Standard CAS: 35511-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35511-15-0
Multi CAS
No
Molecular Formula
C11H11NO5S
Molecular Weight
269.280000
Exact Mass
269.035794
InChI
InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
InChIKey
NGHIOTWSWSQQNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.96
TPSA
83.91

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
2.8
Consensus LogP
1.39
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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