![CAS 1883375-18-5 2-Methyl-8-[4-(1-methylethyl)-2-pyridinyl)benzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883375-18-5.gif)
CAS RN: 1883375-18-5
2-Methyl-8-[4-(1-methylethyl)-2-pyridinyl)benzofuro[2,3-b]pyridine
- Product code: SSC-087595
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1883375-18-5 / 2-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
Basic Information
CAS
1883375-18-5
Multi CAS
No
Molecular Formula
C20H18N2O
Molecular Weight
302.400000
Exact Mass
302.141913
SMILES
CC1=NC2=C(C=C1)C3=C(O2)C(=CC=C3)C4=NC=CC(=C4)C(C)C
InChI
InChI=1S/C20H18N2O/c1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17/h4-12H,1-3H3
InChIKey
GFYUFOVUUNZVKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
93.57
TPSA
38.92
LogP / Solubility
WLOGP
5.47
MLOGP
4.83
XLogP3
5
Consensus LogP
5.1
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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