![CAS 521937-07-5 2,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro[2,3-c]azepin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521937-07-5.gif)
CAS RN: 521937-07-5
2,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro[2,3-c]azepin-1-one
Product Availability
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10 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 100mg | Out of stock | Inquiry | |
| Batchno.20250721 | 10mg | In stock | Wuhan | Inquiry |
| Batchno.20250913 | 1g | Out of stock | Inquiry | |
| Batchno.20250828 | 1mg | In stock | Tianjin, Wuhan | Inquiry |
| Batchno.20251230 | 250mg | Out of stock | Inquiry | |
| Batchno.20250223 | 50mg | Out of stock | Inquiry | |
| Batchno.20251021 | 5mg | In stock | Wuhan | Inquiry |
- Product code: starshine_CAS521937-07-5
- Purity/Analytical Methods: >99.0%
521937-07-5 / 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
Basic Information
CAS
521937-07-5
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
InChI
InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
InChIKey
AACFPJSJOWQNBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.53
TPSA
62.47
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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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