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CAS 70415-50-8 6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide molecular structure lightbox
CAS RN: 70415-50-8

6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide

  • Product code: SSC-180208
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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: 25g
  • Available purity: ≥95%
  • 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 70415-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

70415-50-8 / methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate

Standard CAS: 70415-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70415-50-8
Multi CAS
No
Molecular Formula
C9H8CLNO5S2
Molecular Weight
309.700000
Exact Mass
308.953242
InChI
InChI=1S/C9H8ClNO5S2/c1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8/h3,12H,1-2H3
InChIKey
HITUAYIBHWKKFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.84
TPSA
83.91

LogP / Solubility

WLOGP
1.44
MLOGP
1.28
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

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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