![CAS 1883377-30-7 8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methylBenzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883377-30-7.gif)
CAS RN: 1883377-30-7
8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methylBenzofuro[2,3-b]pyridine
- Product code: SSC-087596
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 | Shenzhen | Inquiry |
1883377-30-7 / 8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
Basic Information
CAS
1883377-30-7
Multi CAS
No
Molecular Formula
C22H22N2O
Molecular Weight
330.400000
Exact Mass
330.173213
SMILES
CC1=NC2=C(C=C1)C3=C(O2)C(=CC=C3)C4=NC=CC(=C4)CC(C)(C)C
InChI
InChI=1S/C22H22N2O/c1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4/h5-12H,13H2,1-4H3
InChIKey
PSLNBYDAXSDTEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
102.64
TPSA
38.92
LogP / Solubility
WLOGP
5.94
MLOGP
5.24
XLogP3
5.9
Consensus LogP
5.69
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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