CAS RN: 1233335-84-6
D-erythro-Pentofuranosyl bromide, 2-deoxy-2-fluoro-2-methyl-, 3,5-dibenzoate, (2R)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-026987
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 | Hong Kong | Inquiry |
1233335-84-6 / [(2R,3R,4R,5S)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
Basic Information
CAS
1233335-84-6
Multi CAS
No
Molecular Formula
C20H18BrFO5
Molecular Weight
437.300000
Exact Mass
436.032160
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1Br)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F
InChI
InChI=1S/C20H18BrFO5/c1-20(22)16(27-18(24)14-10-6-3-7-11-14)15(26-19(20)21)12-25-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19-,20-/m1/s1
InChIKey
BXKUNDXPWMNAMP-XNFNUYLZSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
99.47
TPSA
61.83
LogP / Solubility
WLOGP
3.92
MLOGP
3.48
XLogP3
4.6
Consensus LogP
4
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-2.61
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
4.5
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