![CAS 1093978-67-6 6-fluoro-3-(4-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093978-67-6.gif)
CAS RN: 1093978-67-6
6-fluoro-3-(4-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1093978-67-6
- Purity/Analytical Methods: >99.0%
1093978-67-6 / 6-fluoro-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
6-fluoro-3-(4-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one | 6-fluoro-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one | SCHEMBL3052713
Basic Information
CAS
1093978-67-6
Multi CAS
No
Molecular Formula
C23H21FN6O2
Molecular Weight
432.400000
Exact Mass
432.171002
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)C3=CN(N=N3)C4CCC5=C(C=CC=C5F)NC4=O)OC
InChI
InChI=1S/C23H21FN6O2/c1-14-11-29(13-25-14)20-8-6-15(10-22(20)32-2)19-12-30(28-27-19)21-9-7-16-17(24)4-3-5-18(16)26-23(21)31/h3-6,8,10-13,21H,7,9H2,1-2H3,(H,26,31)
InChIKey
WGXDLSKBTBHKET-UHFFFAOYSA-N
Synonyms
6-fluoro-3-(4-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
6-fluoro-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SCHEMBL3052713
C23H21FN6O2
CS-M0694
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
116.26
TPSA
86.86
LogP / Solubility
WLOGP
3.71
MLOGP
3.3
XLogP3
3
Consensus LogP
3.34
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1094069-99-4 1-Propanol, 2-[ethyl[[5-[[6-Methyl-3-(1H-pyrazol-4-yl)iMidazo[1,2-a]pyrazin-8-yl]aMino]-3-isothiazolyl]Methyl]aMino]-2-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094069-99-4.gif)