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CAS 10320-48-6 N-methyl-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide molecular structure lightbox
CAS RN: 10320-48-6

N-methyl-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS10320-48-6
  • Purity/Analytical Methods: >99.0%
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10320-48-6 / N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-methyl-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide | MFCD02216046 | N-methyl-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide

Standard CAS: 10320-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10320-48-6
Multi CAS
No
Molecular Formula
C11H12N2O2S
Molecular Weight
236.290000
Exact Mass
236.061949
SMILES
CNC(=O)CC1C(=O)NC2=CC=CC=C2S1
InChI
InChI=1S/C11H12N2O2S/c1-12-10(14)6-9-11(15)13-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)(H,13,15)
InChIKey
INCDAYCZTFRGQP-UHFFFAOYSA-N
Synonyms
N-methyl-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide MFCD02216046 N-methyl-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide 2H-1,4-Benzothiazine-2-acetamide, 3,4-dihydro-N-methyl-3-oxo-

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.4
TPSA
58.2

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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