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CAS 1472038-62-2 8-Cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one molecular structure lightbox
CAS RN: 1472038-62-2

8-Cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1472038-62-2
  • Purity/Analytical Methods: >99.0%
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1472038-62-2 / 8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one

Standard CAS: 1472038-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1472038-62-2
Multi CAS
No
Molecular Formula
C12H12FNO2
Molecular Weight
221.230000
Exact Mass
221.085207
SMILES
C1CC1C2=CC3=C(C(=C2)F)C(=O)NCCO3
InChI
InChI=1S/C12H12FNO2/c13-9-5-8(7-1-2-7)6-10-11(9)12(15)14-3-4-16-10/h5-7H,1-4H2,(H,14,15)
InChIKey
IOFQVMUCCOQTAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.2
TPSA
38.33

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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