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CAS 36093-58-0 8-METHOXY-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE molecular structure lightbox
CAS RN: 36093-58-0

8-METHOXY-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS36093-58-0
  • Purity/Analytical Methods: >99.0%
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36093-58-0 / 7-methoxy-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Standard CAS: 36093-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36093-58-0
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c1-14-7-2-3-8-9(6-7)12-10(13)4-5-11-8/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKey
MWNNZUFSNDWUQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.73
TPSA
50.36

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
0.8
Consensus LogP
1.17
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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