![CAS 635728-14-2 9-benzyl-11-iodo-1,4-dioxa-9-azadispiro[4.2.48.25]tetradecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/635728-14-2.gif)
CAS RN: 635728-14-2
9-benzyl-11-iodo-1,4-dioxa-9-azadispiro[4.2.48.25]tetradecane
- Product code: SSC-173280
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 |
635728-14-2 / 4-benzyl-2-iodo-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
Basic Information
CAS
635728-14-2
Multi CAS
Yes
Molecular Formula
C18H24InO2
Molecular Weight
413.300000
Exact Mass
413.085180
InChI
InChI=1S/C18H24INO2/c19-16-12-17(6-8-18(9-7-17)21-10-11-22-18)20(14-16)13-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKey
OQRFPUIWLRKDBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
95.11
TPSA
21.7
LogP / Solubility
WLOGP
3.75
MLOGP
3.33
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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