![CAS 2177266-88-3 (Trans)-tert-butyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-6(7H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177266-88-3.png)
CAS RN: 2177266-88-3
(Trans)-tert-butyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-6(7H)-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.20250722 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105107
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2177266-88-3 / tert-butyl (4aR,8aR)-4-oxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxylate
Basic Information
CAS
2177266-88-3
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C1)C(=O)CCO2
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-6-4-11-9(8-14)10(15)5-7-17-11/h9,11H,4-8H2,1-3H3/t9-,11+/m0/s1
InChIKey
DVYKJDOGIQHGBB-GXSJLCMTSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.28
TPSA
55.84
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
0.6
Consensus LogP
1.21
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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