CAS RN: 86499-24-3
3-AZIDO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
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.20251122 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86499-24-3
- Purity/Analytical Methods: >99.0%
86499-24-3 / 3-azido-1,3,4,5-tetrahydro-1-benzazepin-2-one
Basic Information
CAS
86499-24-3
Multi CAS
Yes
Molecular Formula
C10H10N4O
Molecular Weight
202.210000
Exact Mass
202.085461
InChI
InChI=1S/C10H10N4O/c11-14-13-9-6-5-7-3-1-2-4-8(7)12-10(9)15/h1-4,9H,5-6H2,(H,12,15)
InChIKey
PDFYKDYEFKYENU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.33
TPSA
77.86
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one
- CAS RN: 86499-35-6
- Product Code: SSC-195619
-
(S)-3-AMino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid Ethyl Ester
- CAS RN: 86499-52-7
- Product Code: SSC-195620
-
8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
- CAS RN: 86499-66-3
- Product Code: SSC-195621
-
(2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-carbaMicacidtert-butylester
- CAS RN: 86499-69-6
- Product Code: starshine_CAS86499-69-6
- Purity/Analytical method: >99.0%
-
-
![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)
