![CAS 179060-28-7 TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179060-28-7.gif)
CAS RN: 179060-28-7
TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260405 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-079776
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 | Shanghai | Inquiry |
179060-28-7 / tert-butyl 5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate
Basic Information
CAS
179060-28-7
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)OC=C2
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-6-4-9-5-7-15-10(9)8-13/h5,7H,4,6,8H2,1-3H3
InChIKey
AAPUUGDFHOCKDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.06
TPSA
42.68
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
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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