![CAS 59820-87-0 6H-1,4-Dioxino[2,3-f]indole-7-carboxylic acid, 2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59820-87-0.gif)
CAS RN: 59820-87-0
6H-1,4-Dioxino[2,3-f]indole-7-carboxylic acid, 2,3-dihydro-
- Product code: SSC-168392
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
59820-87-0 / 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylic acid
Basic Information
CAS
59820-87-0
Multi CAS
No
Molecular Formula
C11H9NO4
Molecular Weight
219.190000
Exact Mass
219.053158
InChI
InChI=1S/C11H9NO4/c13-11(14)8-3-6-4-9-10(5-7(6)12-8)16-2-1-15-9/h3-5,12H,1-2H2,(H,13,14)
InChIKey
OGNISQJNVXONKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.25
TPSA
71.55
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.89
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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