![CAS 797054-20-7 (1’S,2S)-2-[(1’,2’-O-Isopropylidene)dihydroxyethyl]-6-fluorochroman-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797054-20-7.gif)
CAS RN: 797054-20-7
(1’S,2S)-2-[(1’,2’-O-Isopropylidene)dihydroxyethyl]-6-fluorochroman-4-one
- Product code: SSC-188829
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 | Shanghai | Inquiry |
797054-20-7 / (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,3-dihydrochromen-4-one
Basic Information
CAS
797054-20-7
Multi CAS
Yes
Molecular Formula
C14FH15O4
Molecular Weight
266.260000
Exact Mass
266.095437
InChI
InChI=1S/C14H15FO4/c1-14(2)17-7-13(19-14)12-6-10(16)9-5-8(15)3-4-11(9)18-12/h3-5,12-13H,6-7H2,1-2H3/t12-,13-/m0/s1
InChIKey
MYQKUOXZBKPFPP-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
64.67
TPSA
44.76
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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