![CAS 1346676-30-9 2-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346676-30-9.gif)
CAS RN: 1346676-30-9
2-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol Ester
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.20250728 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042579
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1346676-30-9 / [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Basic Information
CAS
1346676-30-9
Multi CAS
No
Molecular Formula
C27H35BN2O5
Molecular Weight
478.400000
Exact Mass
478.263902
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N3CCN4C5=C(CC(C5)(C)C)C=C4C3=O)COC(=O)C
InChI
InChI=1S/C27H35BN2O5/c1-17(31)33-16-19-20(28-34-26(4,5)27(6,7)35-28)9-8-10-21(19)30-12-11-29-22(24(30)32)13-18-14-25(2,3)15-23(18)29/h8-10,13H,11-12,14-16H2,1-7H3
InChIKey
AWXNPZGFWJJEAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
11
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
134.93
TPSA
70
LogP / Solubility
WLOGP
3.64
MLOGP
3.23
XLogP3
3.64
Consensus LogP
3.5
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
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
Customers Also Viewed
-
![CAS 1346683-42-8 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]aMino]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]aMino]-
- CAS RN: 1346683-42-8
- Product Code: SSC-042580
-
-
3-chloro-5-(2,2,2-trifluoroethoxy)pyridazine
- CAS RN: 1346691-33-5
- Product Code: SSC-042584
-
3-Chloro-5-(2-fluoroethoxy)pyridazine
- CAS RN: 1346691-39-1
- Product Code: starshine_CAS1346691-39-1
- Purity/Analytical method: >99.0%
-
5-(2-methoxyethoxy)pyridazin-3(2H)-one
- CAS RN: 1346697-90-2
- Product Code: starshine_CAS1346697-90-2
- Purity/Analytical method: >99.0%
-
Methyl 6-broMo-l-(l- Methylethyl)-lH-indazole-4-carboxylate
- CAS RN: 1346702-52-0
- Product Code: SSC-042588
![CAS 1346683-42-8 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346683-42-8.gif)
