![CAS 1346675-25-9 2-(7,7-dimethyl-4-oxo-1,2,6,8-tetrahydrocyclopenta[3,4]pyrrolo[3,5-b]pyrazin-3-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346675-25-9.gif)
CAS RN: 1346675-25-9
2-(7,7-dimethyl-4-oxo-1,2,6,8-tetrahydrocyclopenta[3,4]pyrrolo[3,5-b]pyrazin-3-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
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.20250219 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-042578
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 | Shanghai | Inquiry |
1346675-25-9 / [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Basic Information
CAS
1346675-25-9
Multi CAS
No
Molecular Formula
C27H34BFN2O5
Molecular Weight
496.400000
Exact Mass
496.254481
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2COC(=O)C)N3CCN4C5=C(CC(C5)(C)C)C=C4C3=O)F
InChI
InChI=1S/C27H34BFN2O5/c1-16(32)34-15-19-20(28-35-26(4,5)27(6,7)36-28)11-18(29)12-21(19)31-9-8-30-22(24(31)33)10-17-13-25(2,3)14-23(17)30/h10-12H,8-9,13-15H2,1-7H3
InChIKey
XGECHGJBDGZREI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
11
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
134.88
TPSA
70
LogP / Solubility
WLOGP
3.77
MLOGP
3.36
XLogP3
3.77
Consensus LogP
3.63
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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