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CAS 35511-14-9 Methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide molecular structure lightbox
CAS RN: 35511-14-9

Methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35511-14-9
  • Purity/Analytical Methods: >99.0%
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35511-14-9 / methyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate

Standard CAS: 35511-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35511-14-9
Multi CAS
No
Molecular Formula
C10H9NO5S
Molecular Weight
255.250000
Exact Mass
255.020144
InChI
InChI=1S/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,11-12H,1H3
InChIKey
GEUURTZIEGFZAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.33
TPSA
92.7

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
1
Consensus LogP
0.57
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-4.01

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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