![CAS 865838-13-7 4H-Cyclopenta-1,3-dioxol-4-ol, 3a,6a-dihydro-2,2-diMethyl-4-[(triphenylMethoxy)Methyl]-, (3aS,4R,6aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865838-13-7.gif)
CAS RN: 865838-13-7
4H-Cyclopenta-1,3-dioxol-4-ol, 3a,6a-dihydro-2,2-diMethyl-4-[(triphenylMethoxy)Methyl]-, (3aS,4R,6aS)-
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.20251128 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-195763
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
865838-13-7 / (3aS,4R,6aS)-2,2-dimethyl-4-(trityloxymethyl)-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
Basic Information
CAS
865838-13-7
Multi CAS
Yes
Molecular Formula
C28H28O4
Molecular Weight
428.500000
Exact Mass
428.198759
InChI
InChI=1S/C28H28O4/c1-26(2)31-24-18-19-27(29,25(24)32-26)20-30-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,24-25,29H,20H2,1-2H3/t24-,25-,27+/m0/s1
InChIKey
XXSFZALOTUAUOH-OHSXHVKISA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
123.07
TPSA
47.92
LogP / Solubility
WLOGP
4.82
MLOGP
4.27
XLogP3
4.4
Consensus LogP
4.5
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
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
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