![CAS 1899834-77-5 2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 2-[3-[(acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4,7,8-tetrahydro-7,7-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1899834-77-5.gif)
CAS RN: 1899834-77-5
2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 2-[3-[(acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,4,7,8-tetrahydro-7,7-dimethyl-
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.20250704 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-088984
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 |
1899834-77-5 / [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl acetate
Basic Information
CAS
1899834-77-5
Multi CAS
No
Molecular Formula
C26H34BN3O5
Molecular Weight
479.400000
Exact Mass
479.259151
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)N3CCN4C5=C(CC(C5)(C)C)C=C4C3=O)COC(=O)C
InChI
InChI=1S/C26H34BN3O5/c1-16(31)33-15-18-19(27-34-25(4,5)26(6,7)35-27)8-9-28-22(18)30-11-10-29-20(23(30)32)12-17-13-24(2,3)14-21(17)29/h8-9,12H,10-11,13-15H2,1-7H3
InChIKey
WWRBGSQRXAZXAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
11
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
132.72
TPSA
82.89
LogP / Solubility
WLOGP
3.03
MLOGP
2.7
XLogP3
3.03
Consensus LogP
2.92
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.49
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
3.5
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