![CAS 1638768-64-5 Spiro[cyclohexane-1,3′-pyrrolo[2,3-b]pyridine]-2′,4(1’H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638768-64-5.gif)
CAS RN: 1638768-64-5
Spiro[cyclohexane-1,3′-pyrrolo[2,3-b]pyridine]-2′,4(1’H)-dione
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.20260620 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-071439
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 |
1638768-64-5 / spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
Basic Information
CAS
1638768-64-5
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
C1CC2(CCC1=O)C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C12H12N2O2/c15-8-3-5-12(6-4-8)9-2-1-7-13-10(9)14-11(12)16/h1-2,7H,3-6H2,(H,13,14,16)
InChIKey
DNICOHONTWLGEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.02
TPSA
59.06
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
0.1
Consensus LogP
0.92
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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