CAS RN: 374813-35-1
1H-2-Benzazepin-8-ol, 2,3,4,5-tetrahydro-, hydrobromide
- Product code: SSC-144853
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 |
374813-35-1 / 2,3,4,5-tetrahydro-1H-2-benzazepin-8-ol;hydrobromide
Basic Information
CAS
374813-35-1
Multi CAS
No
Molecular Formula
BC10H14ORn
Molecular Weight
244.130000
Exact Mass
243.025880
InChI
InChI=1S/C10H13NO.BrH/c12-10-4-3-8-2-1-5-11-7-9(8)6-10;/h3-4,6,11-12H,1-2,5,7H2;1H
InChIKey
MAOODNQRFAGJFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.46
TPSA
32.26
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.91
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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