CAS RN: 1173824-58-2
2-deoxy-2,2-difluoro-D-erythro-Pentofuranose-3,5-dibenzoate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250122 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20251024 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250214 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260101 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251005 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1173824-58-2
- Purity/Analytical Methods: >99.0%
1173824-58-2 / [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
((2R,3R)-3-(benzoyloxy)-4,4-difluoro-5-hydroxytetrahydrofuran-2-yl)methyl benzoate | 2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate | 2-Deoxy-2,2-difluoro-D-erythro-ribofuranose-3,5-dibenzoate
Basic Information
CAS
1173824-58-2
Multi CAS
Yes
Molecular Formula
C19H16F2O6
Molecular Weight
378.300000
Exact Mass
378.091495
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C(C(O2)O)(F)F)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15,18,24H,11H2/t14-,15-,18?/m1/s1
InChIKey
PRZDMMRKPZAYHW-QOYAAKSSSA-N
Synonyms
((2R,3R)-3-(benzoyloxy)-4,4-difluoro-5-hydroxytetrahydrofuran-2-yl)methyl benzoate
2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate
2-Deoxy-2,2-difluoro-D-erythro-ribofuranose-3,5-dibenzoate
D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate
C19H16F2O6
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
88.2
TPSA
82.06
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
3.2
Consensus LogP
2.59
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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