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CAS 118854-48-1 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid isopropyl ester 1,1-dioxide molecular structure lightbox
CAS RN: 118854-48-1

4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid isopropyl ester 1,1-dioxide

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Batchno.20250205 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS118854-48-1
  • Purity/Analytical Methods: >99.0%
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118854-48-1 / propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate

Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide | 7EFQ1F465L | Meloxicam impurity F [EP]

Standard CAS: 118854-48-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118854-48-1
Multi CAS
Yes
Molecular Formula
C13H15NO5S
Molecular Weight
297.330000
Exact Mass
297.067094
SMILES
CC(C)OC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1C)O
InChI
InChI=1S/C13H15NO5S/c1-8(2)19-13(16)11-12(15)9-6-4-5-7-10(9)20(17,18)14(11)3/h4-8,15H,1-3H3
InChIKey
ZHWSBDIYCSOTBY-UHFFFAOYSA-N
Synonyms
Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide 7EFQ1F465L Meloxicam impurity F [EP] UNII-7EFQ1F465L MELOXICAM IMPURITY F [EP IMPURITY]

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.17
TPSA
83.91

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
3.6
Consensus LogP
2.14
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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