CAS RN: 955978-84-4
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1h-indole
- Product code: SSC-211053
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 | Shenzhen | Inquiry |
955978-84-4 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1H-indole
Basic Information
CAS
955978-84-4
Multi CAS
No
Molecular Formula
BC15F3H17NO2
Molecular Weight
311.110000
Exact Mass
311.130443
InChI
InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-6-5-7-11-9(10)8-12(20-11)15(17,18)19/h5-8,20H,1-4H3
InChIKey
XSXGMGRIKHCVRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.02
TPSA
34.25
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.49
Consensus LogP
3.35
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
1H-Indole, 6-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 955978-85-5
- Product Code: SSC-211054
-
2-chloro-7-Methyl-4-Morpholinothieno[3,2-d]pyriMidine-6-carbaldehyde
- CAS RN: 955979-02-9
- Product Code: SSC-211058
-
(R)-1-BOC-2-ISOPROPYL-PIPERAZINE HYDROCHLORIDE
- CAS RN: 955979-06-3
- Product Code: starshine_CAS955979-06-3
- Purity/Analytical method: >99.0%
-
1H-Indole, 6-Methoxy-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 955979-12-1
- Product Code: SSC-211059
-
N-methyl-N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
- CAS RN: 955979-18-7
- Product Code: SSC-211060
-
1H-Indole-6-carbonitrile, 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 955979-23-4
- Product Code: SSC-211062
![CAS 955979-02-9 2-chloro-7-Methyl-4-Morpholinothieno[3,2-d]pyriMidine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955979-02-9.gif)
