![CAS 55553-81-6 5,12-Dioxahexacyclo[7.6.1.02,8.04,6.010,15.011,13]hexadecane (mixture of isomers) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5961-jpgcontextbwfzdgvyfhjvb3r8mty3otb8aw1hz2uvanblz3xoyzmvagmxlzkzmdu1mtm2odkxmtgvrdu5njeuanbnfgrhmge3mjdimzfkzwzjmmnknmi1mjg4ntvlzty4zwfjmdk4ndexm2jlywzmyzkxzmqyzjzkm2vjnza0ymrkyzm.jpeg)
CAS RN: 55553-81-6
5,12-Dioxahexacyclo[7.6.1.02,8.04,6.010,15.011,13]hexadecane (mixture of isomers)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250330 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-163476
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
55553-81-6 / 5,12-dioxahexacyclo[7.6.1.02,8.04,6.010,15.011,13]hexadecane
Basic Information
CAS
55553-81-6
Multi CAS
No
Molecular Formula
C14H18O2
Molecular Weight
218.290000
Exact Mass
218.130680
InChI
InChI=1S/C14H18O2/c1-5-6-2-10-11(15-10)3-7(6)8(1)13-9(5)4-12-14(13)16-12/h5-14H,1-4H2
InChIKey
VXWWOFOHDQIOQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
56.73
TPSA
25.06
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
