![CAS 86499-69-6 (2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-carbaMicacidtert-butylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86499-69-6.gif)
CAS RN: 86499-69-6
(2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-carbaMicacidtert-butylester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS86499-69-6
- Purity/Analytical Methods: >99.0%
86499-69-6 / tert-butyl N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)carbamate
Basic Information
CAS
86499-69-6
Multi CAS
No
Molecular Formula
C15H20N2O3
Molecular Weight
276.330000
Exact Mass
276.147393
InChI
InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-12-9-8-10-6-4-5-7-11(10)16-13(12)18/h4-7,12H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
KMQMLZIXVMSMOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.55
TPSA
67.43
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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