![CAS 22535-90-6 3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1724-jpgcontextbwfzdgvyfhjvb3r8mzexmzl8aw1hz2uvanblz3xomjqvadnmlzg5mjg3ndy0mdu5mtgvqje3mjquanbnfdjiowy4zjk5yzfhownmodq2mdi1nme0yju2ytjmnwfmzdk1nwjjmwy4mgq5n2izzjgwndk3n2vlogq1y2njnjc.jpeg)
CAS RN: 22535-90-6
3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane
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.20260319 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-110170
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: 25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
22535-90-6 / 6-[2-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-1,3,5-triazine-2,4-diamine
Basic Information
CAS
22535-90-6
Multi CAS
No
Molecular Formula
C17H26N10O4
Molecular Weight
434.500000
Exact Mass
434.213849
SMILES
C1C2(COC(O1)CCC3=NC(=NC(=N3)N)N)COC(OC2)CCC4=NC(=NC(=N4)N)N
InChI
InChI=1S/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)
InChIKey
DUZLHGMYNVZMCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
4
Molar refractivity
107.76
TPSA
218.34
LogP / Solubility
WLOGP
-1.32
MLOGP
-1.13
XLogP3
-1
Consensus LogP
-1.15
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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