![CAS 1215074-38-6 1,2,3,4-tetrahydrobenzo[c]azepin-5-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1215074-38-6.gif)
CAS RN: 1215074-38-6
1,2,3,4-tetrahydrobenzo[c]azepin-5-one hydrochloride
- Product code: SSC-024018
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 | Shanghai | Inquiry |
1215074-38-6 / 1,2,3,4-tetrahydro-2-benzazepin-5-one;hydrochloride
Basic Information
CAS
1215074-38-6
Multi CAS
No
Molecular Formula
C10H12ClNO
Molecular Weight
197.660000
Exact Mass
197.060742
SMILES
C1CNCC2=CC=CC=C2C1=O.Cl
InChI
InChI=1S/C10H11NO.ClH/c12-10-5-6-11-7-8-3-1-2-4-9(8)10;/h1-4,11H,5-7H2;1H
InChIKey
XMJOGYVBAYXIPS-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
1
Molar refractivity
54.34
TPSA
29.1
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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