CAS RN: 1242156-76-8
2-(6-(tert-butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1242156-76-8
- Purity/Analytical Methods: >99.0%
1242156-76-8 / [2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Basic Information
CAS
1242156-76-8
Multi CAS
No
Molecular Formula
C27H32BFN2O5
Molecular Weight
494.400000
Exact Mass
494.238831
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N3C(=O)C4=C(C=C(C=C4F)C(C)(C)C)C=N3)COC(=O)C
InChI
InChI=1S/C27H32BFN2O5/c1-16(32)34-15-19-20(28-35-26(5,6)27(7,8)36-28)10-9-11-22(19)31-24(33)23-17(14-30-31)12-18(13-21(23)29)25(2,3)4/h9-14H,15H2,1-8H3
InChIKey
GGSYPPKCJLBSRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
137.18
TPSA
79.65
LogP / Solubility
WLOGP
4.18
MLOGP
3.72
XLogP3
4.18
Consensus LogP
4.03
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
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)
-2.76
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
4.5
Customers Also Viewed
-
-
6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 1242157-15-8
- Product Code: SSC-028068
-
-
-
3,4-a’]dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct
- CAS RN: 1242168-77-9
- Product Code: starshine_CAS1242168-77-9
- Purity/Analytical method: >99.0%
-
(3S,5R)-Rosuvastatin
- CAS RN: 1242184-42-4
- Product Code: starshine_CAS1242184-42-4
- Purity/Analytical method: >99.0%
![CAS 1242168-77-9 3,4-a’]dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1242168-77-9.gif)
