![CAS 22246-84-0 8-hydroxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22246-84-0.gif)
CAS RN: 22246-84-0
8-hydroxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
- Product code: SSC-107117
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
22246-84-0 / 8-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
Basic Information
CAS
22246-84-0
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
C1CC2=C(C=C(C=C2)O)NC(=O)C1
InChI
InChI=1S/C10H11NO2/c12-8-5-4-7-2-1-3-10(13)11-9(7)6-8/h4-6,12H,1-3H2,(H,11,13)
InChIKey
WEGLOXRRKPYARS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.67
TPSA
49.33
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
1.1
Consensus LogP
1.41
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 22248-63-1 2-[[(2R)-3-decanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[[(2R)-3-decanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
- CAS RN: 22248-63-1
- Product Code: starshine_CAS22248-63-1
- Purity/Analytical method: >99.0%
-
-
-
1-LINOLEOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHORYLCHOLINE
- CAS RN: 22252-07-9
- Product Code: starshine_CAS22252-07-9
- Purity/Analytical method: >99.0%
-
(E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one
- CAS RN: 22252-15-9
- Product Code: SSC-107225
-
(E)-β-(4-Chlorophenyl)acrylophenone
- CAS RN: 22252-16-0
- Product Code: starshine_CAS22252-16-0
- Purity/Analytical method: >99.0%
![CAS 22248-63-1 2-[[(2R)-3-decanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22248-63-1.gif)
