![CAS 1609374-04-0 2-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609374-04-0.gif)
CAS RN: 1609374-04-0
2-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuro[2,3-b]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 250mg / 1g / 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-068653
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 | Shanghai | Inquiry |
1609374-04-0 / 2-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-b]pyridine
Basic Information
CAS
1609374-04-0
Multi CAS
No
Molecular Formula
C18H20BNO3
Molecular Weight
309.200000
Exact Mass
309.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C4=C(O3)N=C(C=C4)C
InChI
InChI=1S/C18H20BNO3/c1-11-9-10-13-12-7-6-8-14(15(12)21-16(13)20-11)19-22-17(2,3)18(4,5)23-19/h6-10H,1-5H3
InChIKey
FPPVNLSNFDMQGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
13
Fraction Csp3
0.39
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
91.97
TPSA
44.49
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.59
Consensus LogP
3.45
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1609393-90-9 2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609393-90-9.gif)
