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CAS 70374-51-5 6-chloro-4-hydroxy-3-metho-xycarbonyl-2H-thieno[2,3-e]-1,2-thiazine-1,1-dioxide molecular structure lightbox
CAS RN: 70374-51-5

6-chloro-4-hydroxy-3-metho-xycarbonyl-2H-thieno[2,3-e]-1,2-thiazine-1,1-dioxide

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Batchno.20250907 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70374-51-5
  • Purity/Analytical Methods: >99.0%
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70374-51-5 / methyl 7-chloro-4-hydroxy-1,1-dioxo-2H-thieno[3,4-e]thiazine-3-carboxylate

Standard CAS: 70374-51-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70374-51-5
Multi CAS
Yes
Molecular Formula
C8H6CLNO5S2
Molecular Weight
295.700000
Exact Mass
294.937592
InChI
InChI=1S/C8H6ClNO5S2/c1-15-8(12)5-6(11)7-3(2-4(9)16-7)17(13,14)10-5/h2,10-11H,1H3
InChIKey
FWMLCQNJKRWJQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
61.22
TPSA
92.7

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
1.6
Consensus LogP
1.22
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.75

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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