CAS RN: 1355049-97-6
(3R,4R,5R)-4-(benzyloxy)-5-(benzyloxymethyl)-3-fluoro-dihydrofuran-2(3H)-one
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.20250326 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1355049-97-6
- Purity/Analytical Methods: >99.0%
1355049-97-6 / (3R,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
Basic Information
CAS
1355049-97-6
Multi CAS
No
Molecular Formula
C19H19FO4
Molecular Weight
330.300000
Exact Mass
330.126737
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)F)OCC3=CC=CC=C3
InChI
InChI=1S/C19H19FO4/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2/t16-,17-,18-/m1/s1
InChIKey
HEYCIUFBODNURY-KZNAEPCWSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
85.89
TPSA
44.76
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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