![CAS 1430837-91-4 3,5-Diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane, 1-(4-sulfobutyl)-, inner salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1430837-91-4.gif)
CAS RN: 1430837-91-4
3,5-Diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane, 1-(4-sulfobutyl)-, inner salt
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
| Batchno.20250720 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260409 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260426 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260116 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-054419
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1430837-91-4 / 4-(3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decan-1-yl)butane-1-sulfonate
Basic Information
CAS
1430837-91-4
Multi CAS
No
Molecular Formula
C10H20N3O3PS
Molecular Weight
293.330000
Exact Mass
293.096300
SMILES
C1N2C[N+]3(CN1CP(C2)C3)CCCCS(=O)(=O)[O-]
InChI
InChI=1S/C10H20N3O3PS/c14-18(15,16)4-2-1-3-13-6-11-5-12(7-13)9-17(8-11)10-13/h1-10H2
InChIKey
KGJWBSOVUYDJAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
68.73
TPSA
63.68
LogP / Solubility
MLOGP
0.01
XLogP3
-2.8
Consensus LogP
-0.93
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7
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