![CAS 2055840-56-5 2-methoxy-N-methyl-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-yl}aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-56-5.png)
CAS RN: 2055840-56-5
2-methoxy-N-methyl-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-yl}aniline
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.20250130 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-096782
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 | Hong Kong | Inquiry |
2055840-56-5 / 2-methoxy-N-methyl-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline
Basic Information
CAS
2055840-56-5
Multi CAS
No
Molecular Formula
C18H29N3O
Molecular Weight
303.400000
Exact Mass
303.231063
SMILES
CNC1=C(C=C(C=C1)N2CCC3(CCN(CC3)C)CC2)OC
InChI
InChI=1S/C18H29N3O/c1-19-16-5-4-15(14-17(16)22-3)21-12-8-18(9-13-21)6-10-20(2)11-7-18/h4-5,14,19H,6-13H2,1-3H3
InChIKey
WWFKIKHFOSGRFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.15
TPSA
27.74
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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