![CAS 491578-02-0 (3aS,4R,6aR)-6-[(benzyloxy)methyl]-5-fluoro-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/491578-02-0.gif)
CAS RN: 491578-02-0
(3aS,4R,6aR)-6-[(benzyloxy)methyl]-5-fluoro-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
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.20250702 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-155541
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 | Beijing | Inquiry |
491578-02-0 / (3aR,6R,6aS)-5-fluoro-2,2-dimethyl-4-(phenylmethoxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
Basic Information
CAS
491578-02-0
Multi CAS
Yes
Molecular Formula
C16FH19O4
Molecular Weight
294.320000
Exact Mass
294.126737
InChI
InChI=1S/C16H19FO4/c1-16(2)20-14-11(12(17)13(18)15(14)21-16)9-19-8-10-6-4-3-5-7-10/h3-7,13-15,18H,8-9H2,1-2H3/t13-,14+,15-/m0/s1
InChIKey
IIASTRMJADMUFQ-ZNMIVQPWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.06
TPSA
47.92
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
0.6
Consensus LogP
1.66
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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